SCHEMBL3121619

SCHEMBL3121619

COc1ccc(N(C)c2nc(C)nc3[nH]ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.64
▸ TUBB3 Q13509 7/20 0.64
▸ TUBB4A P04350 2/20 0.64
▸ TUBB P07437 2/20 0.64
▸ TUBA3C P0DPH7 2/20 0.64
▸ TUBA1B P68363 2/20 0.64
▸ TUBA4A P68366 2/20 0.64
▸ TUBB4B P68371 2/20 0.64
▸ TUBB2A Q13885 2/20 0.64
▸ TUBB8 Q3ZCM7 2/20 0.64
▸ TUBA3E Q6PEY2 2/20 0.64
▸ TUBA1A Q71U36 2/20 0.64
▸ TUBA1C Q9BQE3 2/20 0.64
▸ TUBB6 Q9BUF5 2/20 0.64
▸ TUBB2B Q9BVA1 2/20 0.64
▸ TUBB1 Q9H4B7 2/20 0.64
▸ PDGFRB P09619 6/20 0.60
▸ EGFR P00533 5/20 0.60
▸ PDGFRA P16234 3/20 0.57
▸ ABCB1 P08183 5/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19033044 0.83 KDR (0.44) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL18540797 0.82 KDR (0.44) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL17528583 0.82 KDR (0.48) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL18540793 0.81 KDR (0.60) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL18540800 0.78 KDR (0.67) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL18163699 0.78 KDR (1.00) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL23732583 0.77 KDR (0.53) KDRTUBB3TUBB4ATUBBTUBA3C
SCHEMBL18551759 0.77 TUBB3 (0.56) KDRTUBB3TUBB4ATUBBTUBA3C
Verubulin SCHEMBL29379614 0.75 KDR (1.00) KDRTUBB3TUBB4ATUBBTUBA3C
Verubulin SCHEMBL2232326 0.75 KDR (1.00) KDRTUBB3TUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 — — US disclosed
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 — — US disclosed
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-12-12 — — US disclosed
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-07 — — US disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 — — US disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 — — US disclosed
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-05-27 — — US disclosed
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-05-27 — — US disclosed
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-05-11 — — US disclosed
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-03-16 — — US disclosed
US-20150105407-A1 Substituted Pyrrolo, -Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2015-04-16 — — US disclosed
US-8946239-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-02-03 — — US disclosed
US-8946239-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-02-03 — — US disclosed
US-8946239-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-02-03 — — US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 — — US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 — — US disclosed
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2014-10-09 — — US disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 — — US disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 — — US disclosed
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2010-01-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100010016-A1 BICYCLIC COMPOUNDS HAVING ANTIMITOTIC AND/OR ANTITUMOR ACTIVITY AND METHODS OF USE THEREOF ABCC1, ABCB1, ABCG2 KDR 4053/4885TUBB3 140/4885TUBB4A 226/4885
US-11840539-B2 Substituted pyrrolo,-furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCG2 KDR 3949/4885TUBB3 511/4885TUBB4A 350/4885
US-20150105407-A1 Substituted Pyrrolo, -Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCB1, ABCC1, ABCB11 KDR 4008/4885TUBB3 255/4885TUBB4A 331/4885
US-10947246-B2 Substituted pyrrolo, -furano, and cyclopentylpyrimidines having antimitotic and/or antitumor activity and methods of use thereof ABCB1, ABCC1, ABCB11 KDR 4008/4885TUBB3 255/4885TUBB4A 331/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO KDR 2597/4885TUBB3 2345/4885TUBB4A 1473/4885
US-20210155633-A1 Substituted Pyrrolo,-Furano, and Cyclopentylpyrimidines Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCB1, ABCC1, ABCG2 KDR 3949/4885TUBB3 511/4885TUBB4A 350/4885
US-20140303188-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof ABCC1, ABCG2, ABCB1 KDR 4359/4885TUBB3 101/4885TUBB4A 278/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT KDR 3751/4885TUBB3 1979/4885TUBB4A 1890/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT KDR 3566/4885TUBB3 2627/4885TUBB4A 2737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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