SCHEMBL2916695

SCHEMBL2916695

O=C(Cc1cccc(F)c1)Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
KCNQ2 O43526 1/20 0.45
FFAR2 O15552 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
CDK2 P24941 3/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
PARP14 Q460N5 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
NAMPT P43490 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
GLS O94925 1/20 0.38
GRM4 Q14833 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
SCHEMBL2915786 0.90 CCNA2 (0.42) MAPK1KCNQ2SIGMAR1CDK2MEN1
SCHEMBL2914047 0.90 CCNA2 (0.44) KCNQ2PKMTSHRCDK2MEN1
SCHEMBL2918513 0.89 KCNQ2 (0.45) KCNQ2PKMTSHRCDK2CDK1
SCHEMBL2917995 0.88 KCNQ2 (0.45) KCNQ2FFAR2SIGMAR1PKMTSHR
SCHEMBL2920926 0.87 KCNQ2 (0.44) KCNQ2FFAR2SIGMAR1TSHRCDK2
SCHEMBL2924093 0.87 NPY5R (0.46) SIGMAR1CDK2CDK1CDK4MEN1
SCHEMBL2918855 0.87 MAPK1 (0.52) MAPK1CDK2CDK1MEN1NPC1
SCHEMBL2917964 0.86 LMNA (0.41) SIGMAR1CDK2RAB9AKMT2ACCNA2
SCHEMBL2924394 0.85 CCNA2 (0.42) TSHRCDK2NPC1RAB9AKMT2A
SCHEMBL2916697 0.84 CDK2 (0.54) MAPK1KCNQ2FFAR2SIGMAR1PKM

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 MAPK1 77/4885KCNQ2 2090/4885FFAR2 3658/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPK1 264/4885KCNQ2 2847/4885FFAR2 3109/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAPK1 77/4885KCNQ2 2090/4885FFAR2 3658/4885

“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.