SCHEMBL4712777

SCHEMBL4712777

CCNc1nc(Nc2ccccc2)ncc1/C=C/C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CCNB1 P14635 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ KDR P35968 3/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ SYK P43405 3/20 0.44
▸ IGF1R P08069 2/20 0.44
▸ MARK3 P27448 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ LCK P06239 1/20 0.44

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
SCHEMBL4712780 1.00 CDK1 (0.53) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL16101869 0.87 CDK1 (0.49) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL16101870 0.87 CDK1 (0.49) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL16100630 0.81 ALK (0.53) CDK2JAK2SYKNTRK1LCK
SCHEMBL16100631 0.81 ALK (0.53) CDK2JAK2SYKNTRK1LCK
SCHEMBL4713221 0.81 CDK1 (0.49) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL4715103 0.81 EGFR (0.47) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL4715101 0.81 EGFR (0.47) CDK1CDK2CCNB1CCNE1KDR
SCHEMBL4716152 0.78 EGFR (0.53) CDK1CDK2SYKAURKAJAK3
SCHEMBL4716154 0.78 EGFR (0.53) CDK1CDK2SYKAURKAJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US claimed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US claimed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 — — EP claimed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 — — WO claimed
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 — — EP claimed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 — — US claimed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP claimed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — WO claimed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 — — EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 — — US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 — — US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 — — WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — 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 (2 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK1 9/4885CDK2 11/4885CCNB1 30/4885
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK CDK1 15/4885CDK2 6/4885CCNB1 149/4885

“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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