SCHEMBL18540795

SCHEMBL18540795

COc1cccc2cc(N(C)C(C)C)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.51
EGFR P00533 1/20 0.51
KDR P35968 1/20 0.51
TUBB3 Q13509 4/20 0.47
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL17528551 0.83 PDGFRB (0.56) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL19009085 0.83 EGFR (0.43) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL18540825 0.78 PDGFRB (0.51) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL21340792 0.78 PDGFRB (0.51) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL30204235 0.78 EGFR (0.64) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL24971011 0.78 EGFR (0.64) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL18540839 0.77 PDGFRB (0.50) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL14974588 0.76 TUBB3 (0.51) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL18552631 0.75 PDGFRB (0.48) PDGFRBEGFRKDRTUBB3TUBB4A
SCHEMBL11662793 0.74 CA2 (0.48) ALDH1A1HPGDHSD17B10CYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-08-12 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-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-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-12-08 US disclosed
US-20200369680-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-26 US disclosed
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-08-13 US disclosed
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-06-23 US disclosed
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-09-12 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 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-20200369680-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT PDGFRB 997/4885EGFR 1764/4885KDR 3566/4885
US-10858361-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents RB1, RRM2, RRM2B PDGFRB 965/4885EGFR 2005/4885KDR 352/4885
US-20210246141-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B PDGFRB 965/4885EGFR 2005/4885KDR 352/4885
US-20190276457-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents DPYD, TP53, TYMP PDGFRB 1479/4885EGFR 1235/4885KDR 1862/4885
US-10689386-B2 Pyrazolo[4,3-d]pyrimidines as antitumor agents DPYD, TP53, TYMP PDGFRB 1479/4885EGFR 1235/4885KDR 1862/4885
US-20200255431-A1 Pyrazolo[4,3-d]pyrimidines as Antitumor Agents RB1, RRM2, RRM2B PDGFRB 965/4885EGFR 2005/4885KDR 352/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO PDGFRB 1782/4885EGFR 2600/4885KDR 2597/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD PDGFRB 1108/4885EGFR 1667/4885KDR 1696/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT PDGFRB 997/4885EGFR 1764/4885KDR 3566/4885

“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.