SCHEMBL2288473

SCHEMBL2288473

Cc1nc(C)c(-c2ccnc(Nc3cccnc3)n2)s1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.79
CDK4 P11802 14/20 0.79
AURKA O14965 5/20 0.69
CDK1 P06493 4/20 0.69
CDK7 P50613 4/20 0.69
CDK9 P50750 4/20 0.69
AURKB Q96GD4 4/20 0.69
PLK1 P53350 1/20 0.67
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TRPV4 Q9HBA0 1/20 0.65
CCNE1 P24864 1/20 0.65

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
SCHEMBL2284091 0.88 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL12589637 0.83 CDK2 (0.82) CDK2CDK4AURKACDK1CDK7
SCHEMBL5620875 0.82 CDK2 (0.76) CDK2CDK4AURKACDK1CDK7
SCHEMBL29644961 0.81 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL2285895 0.81 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6159771 0.81 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6156572 0.81 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6158661 0.81 CDK2 (0.75) CDK2CDK4AURKACDK1CDK7
SCHEMBL6159474 0.81 CDK2 (1.00) CDK2CDK4AURKACDK1CDK7
SCHEMBL6158722 0.81 CDK2 (0.75) CDK2CDK4AURKACDK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007500178-A 2007-01-11 JP claimed
US-20060241297-A1 Pyridinylamino-pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2006-10-26 US claimed
EP-1648887-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP claimed
WO-2005012298-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN disclosed
US-20060241297-A1 Pyridinylamino-pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2006-10-26 US disclosed
EP-1648887-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012298-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005012298-A1 PYRIDINYLAMINO-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 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 (3 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX CDK2 2065/4885CDK4 776/4885AURKA 2085/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885AURKA 2015/4885
US-20060241297-A1 Pyridinylamino-pyrimidine derivatives as protein kinase inhibitors FRK, CNKSR1, TYK2 CDK2 8/4885CDK4 76/4885AURKA 611/4885

“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.