SCHEMBL5447692

SCHEMBL5447692

CSc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(Cl)c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.47
ADORA1 P30542 3/20 0.46
MAPK8 P45983 4/20 0.42
MAPK9 P45984 4/20 0.42
IKBKB O14920 3/20 0.41
CDK4 P11802 3/20 0.41
KDR P35968 2/20 0.41
MAPK10 P53779 4/20 0.41
MAPK1 P28482 3/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
MAPK3 P27361 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CDK1 P06493 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL5875556 0.89 EIF2AK2 (0.46) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL5455917 0.88 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL5456176 0.88 ADORA1 (0.47) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL6106438 0.87 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL6106728 0.86 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL6106109 0.86 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL5890384 0.85 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL5453069 0.85 CSNK1D (0.50) MAPK8MAPK9CDK4KDRMAPK10
SCHEMBL5890757 0.85 ADORA1 (0.48) EIF2AK2ADORA1MAPK8MAPK9IKBKB
SCHEMBL6108047 0.83 CDK4 (0.47) EIF2AK2ADORA1MAPK8MAPK9IKBKB

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 15 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
EP-1485385-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham Corporation (US) 2004-12-15 EP claimed
WO-2003076441-A1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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 3626/4885ADORA1 1656/4885MAPK8 3050/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 EIF2AK2 3626/4885ADORA1 1656/4885MAPK8 3050/4885

“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.