SCHEMBL5453711

SCHEMBL5453711

c1cc(-c2c(-c3ccc(OCC4CC4)cc3)nn3c(NC4CCCC4)nccc23)nc(NC2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.42
EIF2AK2 P19525 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
CSNK1D P48730 1/20 0.39
SYK P43405 1/20 0.39
CDK4 P11802 3/20 0.38
GSK3B P49841 2/20 0.38
KDR P35968 3/20 0.38
CTSK P43235 1/20 0.38
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
RET P07949 1/20 0.37
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 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
SCHEMBL5463497 0.89 KDR (0.45) MAPK10EIF2AK2PIK3C3CSNK1DCDK4
SCHEMBL5461411 0.89 EIF2AK2 (0.41) MAPK10EIF2AK2PIK3C3CSNK1DCDK4
SCHEMBL5453019 0.88 EIF2AK2 (0.50) MAPK10EIF2AK2CSNK1DCDK4GSK3B
SCHEMBL5453839 0.88 EIF2AK2 (0.43) MAPK10EIF2AK2PIK3C3CSNK1DCDK4
SCHEMBL6106053 0.88 MAPK10 (0.42) MAPK10EIF2AK2CSNK1DSYKCDK4
SCHEMBL5460939 0.88 EIF2AK2 (0.41) MAPK10EIF2AK2PIK3C3CSNK1DCDK4
SCHEMBL5449581 0.87 EIF2AK2 (0.49) MAPK10EIF2AK2CSNK1DCDK4GSK3B
SCHEMBL6105163 0.87 CDK4 (0.42) MAPK10EIF2AK2CSNK1DSYKCDK4
SCHEMBL6105456 0.85 MAPK10 (0.42) MAPK10EIF2AK2CSNK1DSYKCDK4
SCHEMBL5449622 0.85 CSNK1D (0.53) MAPK10CSNK1DCDK4GSK3BMAPK8

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 8 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-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 4066/4885EIF2AK2 3626/4885PIK3C3 775/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 MAPK10 4066/4885EIF2AK2 3626/4885PIK3C3 775/4885

“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.