SCHEMBL2913472

SCHEMBL2913472

Cc1cccc(CC(=O)Nc2[nH]nc3c2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
KCNQ2 O43526 1/20 0.47
FAAH O00519 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CLPP Q16740 1/20 0.44
NTRK1 P04629 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41

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
SCHEMBL2919688 0.90 BCHE (0.47) BCHECACNA1GCACNA1HCACNA1IKCNQ2
SCHEMBL2921442 0.90 CACNA1G (0.49) BCHECACNA1GCACNA1HCACNA1IFAAH
SCHEMBL2915603 0.90 BCHE (0.48) BCHECACNA1GCACNA1IRAB9ACDK2
SCHEMBL2921497 0.88 SIGMAR1 (0.52) BCHEKCNQ2FAAHRAB9ACLPP
SCHEMBL2918752 0.86 RAB9A (0.52) BCHEFAAHALDH1A1KDM4EMAPT
SCHEMBL2922675 0.85 CACNA1G (0.50) BCHECACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2917856 0.84 CDK2 (0.52) BCHECACNA1GCACNA1HCACNA1IKCNQ2
SCHEMBL2918307 0.84 SIGMAR1 (0.50) BCHEKCNQ2FAAHALDH1A1RAB9A
SCHEMBL2915823 0.83 CDK2 (0.56) BCHECACNA1GCACNA1HCACNA1IKCNQ2
SCHEMBL2918513 0.83 KCNQ2 (0.45) BCHECACNA1GCACNA1HCACNA1IKCNQ2

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 BCHE 4120/4885CACNA1G 4350/4885CACNA1H 4490/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 BCHE 4221/4885CACNA1G 4282/4885CACNA1H 4397/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 BCHE 4120/4885CACNA1G 4350/4885CACNA1H 4490/4885

“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.