SCHEMBL5457810

SCHEMBL5457810

CSc1nccc2c(C(=O)C=CN(C)C)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 15/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL5457805 1.00 CYP1A2 (0.41) CYP1A2CYP2C19MAPK14MAPK13MAPK12
SCHEMBL5455904 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6568000 0.80 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5458270 0.78 MEN1 (0.38) CYP1A2CYP2C19MAPK14TDP1MEN1
SCHEMBL5458267 0.78 MEN1 (0.38) CYP1A2CYP2C19MAPK14TDP1MEN1
SCHEMBL5458513 0.78 MAPK14 (0.48) CYP1A2CYP2C19MAPK14TDP1MEN1
SCHEMBL5458504 0.78 MAPK14 (0.48) CYP1A2CYP2C19MAPK14TDP1MEN1
SCHEMBL4469564 0.74 PTGS2 (0.51) CYP1A2CYP2C19TDP1MEN1KMT2A
SCHEMBL4469574 0.74 PTGS2 (0.51) CYP1A2CYP2C19TDP1MEN1KMT2A
SCHEMBL5459581 0.74 TDP1 (0.42) CYP1A2CYP2C19MAPK14TDP1MEN1

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 6 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 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 CYP1A2 16/4885CYP2C19 5/4885MAPK14 2705/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 CYP1A2 16/4885CYP2C19 5/4885MAPK14 2705/4885

“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.