SCHEMBL2917995

SCHEMBL2917995

NS(=O)(=O)N1Cc2n[nH]c(NC(=O)Cc3cccc(F)c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.45
CDK2 P24941 2/20 0.42
MAPK8 P45983 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
GLS O94925 2/20 0.41
PARP14 Q460N5 1/20 0.40
ROCK2 O75116 1/20 0.39
FFAR2 O15552 1/20 0.39
NAMPT P43490 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
PARP1 P09874 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
SCHEMBL2920926 0.91 KCNQ2 (0.44) KCNQ2CDK2MAPK8MEN1NPC1
SCHEMBL2923763 0.89 CA12 (0.46) KCNQ2CDK2MEN1KMT2ACCNA2
SCHEMBL2916695 0.88 MAPK1 (0.45) KCNQ2CDK2MAPK8MEN1NPC1
SCHEMBL2918956 0.88 KCNQ2 (0.45) KCNQ2CDK2MAPK8NPC1CDK1
SCHEMBL2917524 0.87 CCNA2 (0.48) KCNQ2CDK2MEN1KMT2ACCNA2
SCHEMBL2918254 0.86 CDK2 (0.51) KCNQ2CDK2MAPK8MEN1NPC1
SCHEMBL2921549 0.85 KCNQ2 (0.42) KCNQ2CDK2MEN1NPC1RAB9A
SCHEMBL2915715 0.84 CDK2 (0.51) KCNQ2CDK2MAPK8MEN1NPC1
SCHEMBL2917999 0.83 CDK2 (0.55) KCNQ2CDK2MAPK8MEN1NPC1
SCHEMBL2921497 0.83 SIGMAR1 (0.52) KCNQ2CDK2MAPK8MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KCNQ2 2090/4885CDK2 43/4885MAPK8 125/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KCNQ2 2847/4885CDK2 70/4885MAPK8 262/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KCNQ2 2090/4885CDK2 43/4885MAPK8 125/4885

“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.