SCHEMBL5453839

SCHEMBL5453839

COCCOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.43
MAPK10 P53779 3/20 0.41
CDK4 P11802 7/20 0.39
KDR P35968 2/20 0.39
CDK1 P06493 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
CCND3 P30281 2/20 0.38
CDK6 Q00534 2/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 3/20 0.38
CCNB1 P14635 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
IKBKB O14920 1/20 0.37
CCND1 P24385 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL5461411 0.92 EIF2AK2 (0.41) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5463497 0.92 KDR (0.45) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5453019 0.90 EIF2AK2 (0.50) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5449581 0.89 EIF2AK2 (0.49) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5460939 0.88 EIF2AK2 (0.41) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5453711 0.88 MAPK10 (0.42) EIF2AK2MAPK10CDK4KDRCDK1
SCHEMBL5463503 0.84 MAPK10 (0.43) MAPK10CDK4KDRCDK1CCNA2
SCHEMBL5449622 0.84 CSNK1D (0.53) MAPK10CDK4CDK2CSNK1DGSK3B
SCHEMBL5452109 0.83 CSNK1D (0.52) MAPK10CDK4CSNK1DGSK3B
SCHEMBL5891047 0.81 CSNK1D (0.44) EIF2AK2MAPK10CDK4CSNK1DGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US claimed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US claimed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US disclosed
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP disclosed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 EIF2AK2 3626/4885MAPK10 4066/4885CDK4 368/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 EIF2AK2 3626/4885MAPK10 4066/4885CDK4 368/4885

“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.