SCHEMBL17528560

SCHEMBL17528560

COc1ccc(N(C)c2nc(C)nc(N)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.58
▸ EGFR P00533 5/20 0.58
▸ PDGFRB P09619 5/20 0.58
▸ TUBB3 Q13509 8/20 0.56
▸ ABCB1 P08183 4/20 0.56
▸ TUBB4A P04350 4/20 0.56
▸ TUBB P07437 4/20 0.56
▸ TUBA3C P0DPH7 4/20 0.56
▸ TUBA1B P68363 4/20 0.56
▸ TUBA4A P68366 4/20 0.56
▸ TUBB4B P68371 4/20 0.56
▸ TUBB2A Q13885 4/20 0.56
▸ TUBB8 Q3ZCM7 4/20 0.56
▸ TUBA3E Q6PEY2 4/20 0.56
▸ TUBA1A Q71U36 4/20 0.56
▸ TUBA1C Q9BQE3 4/20 0.56
▸ TUBB6 Q9BUF5 4/20 0.56
▸ TUBB2B Q9BVA1 4/20 0.56
▸ TUBB1 Q9H4B7 4/20 0.56
▸ PDGFRA P16234 1/20 0.56

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
SCHEMBL18540821 0.88 KDR (0.58) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528563 0.88 KDR (0.58) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528562 0.85 KDR (0.59) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528559 0.85 KDR (0.56) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL18540823 0.85 KDR (0.56) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL23732339 0.83 KDR (0.53) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528564 0.83 KDR (0.53) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL18552703 0.82 KDR (0.52) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528565 0.82 KDR (0.53) KDREGFRPDGFRBTUBB3ABCB1
SCHEMBL17528561 0.78 KDR (0.53) KDREGFRPDGFRBTUBB3ABCB1

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-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-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-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-11-26 — — 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-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-09-15 — — US disclosed
US-20190233432-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 2019-08-01 — — US disclosed
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use Duquesne Unversity of the Holy Spirit (US) 2019-03-19 — — US disclosed
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 — — US disclosed
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-07 — — US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 — — US disclosed
US-9688690-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-06-27 — — US disclosed
WO-2016022890-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 — — WO 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 (8 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 KDR 3566/4885EGFR 1764/4885PDGFRB 997/4885
US-10233194-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT KDR 3538/4885EGFR 1982/4885PDGFRB 1337/4885
US-20200369681-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, TYMP, TPMT KDR 3751/4885EGFR 2152/4885PDGFRB 1339/4885
US-20190233432-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT KDR 3471/4885EGFR 1662/4885PDGFRB 984/4885
US-20170253612-A1 PYRIMIDINE COMPOUNDS AND PYRIMIDO INDOLE COMPOUNDS AND METHODS OF USE DPYD, HPRT1, TPMT KDR 3538/4885EGFR 1982/4885PDGFRB 1337/4885
US-10774090-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT KDR 3471/4885EGFR 1662/4885PDGFRB 984/4885
US-11111252-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, TYMP, TPMT KDR 3751/4885EGFR 2152/4885PDGFRB 1339/4885
US-11001595-B2 Pyrimidine compounds and pyrimido indole compounds and methods of use DPYD, HPRT1, TPMT KDR 3566/4885EGFR 1764/4885PDGFRB 997/4885

“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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