SCHEMBL5458126

SCHEMBL5458126

c1ccc(-c2nn3c(NC4CCCC4)ncnc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.52
CCNB2 O95067 5/20 0.45
CDK1 P06493 5/20 0.45
CCNB1 P14635 5/20 0.45
CCNB3 Q8WWL7 5/20 0.45
MAPK8 P45983 3/20 0.44
MAPK14 Q16539 1/20 0.44
RET P07949 1/20 0.42
GSK3B P49841 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
INSR P06213 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
TYK2 P29597 1/20 0.41
KDR P35968 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
SCHEMBL5455719 0.87 MAPK13 (0.40) MAPK10MAPK14KDM4EADORA1ADORA3
SCHEMBL6105435 0.79 MAPK10 (0.52) MAPK10MAPK8MAPK14GSK3BKDR
SCHEMBL5453146 0.77 ADORA3 (0.44) KDM4EADORA1ADORA3ADORA2AADORA2B
SCHEMBL5463503 0.76 MAPK10 (0.43) MAPK10CCNB2CDK1CCNB1CCNB3
SCHEMBL5449622 0.76 CSNK1D (0.53) MAPK10MAPK8MAPK14GSK3BMAP4K4
SCHEMBL5452109 0.75 CSNK1D (0.52) MAPK10MAPK8MAPK14GSK3BMAP4K4
SCHEMBL6105760 0.75 MAPK10 (0.49) MAPK10MAPK8MAPK14GSK3BKDR
SCHEMBL5455917 0.75 ADORA1 (0.48) MAPK10CCNB2CDK1CCNB1CCNB3
SCHEMBL5453019 0.74 EIF2AK2 (0.50) MAPK10CCNB2CDK1CCNB1CCNB3
SCHEMBL5564752 0.74 EIF2AK2 (0.52) MAPK10CCNB2CDK1CCNB1CCNB3

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
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 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

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 MAPK10 4066/4885CCNB2 1671/4885CDK1 1047/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 MAPK10 4066/4885CCNB2 1671/4885CDK1 1047/4885

“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.