SCHEMBL2918513

SCHEMBL2918513

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.45
BCHE P06276 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK2 P24941 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 1/20 0.38
HDAC1 Q13547 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
SCHEMBL2924394 0.90 CCNA2 (0.42) CACNA1GCACNA1HCACNA1IMAPTCDK2
SCHEMBL2914047 0.90 CCNA2 (0.44) KCNQ2MAPTCDK2ALDH1A1PKM
SCHEMBL2916695 0.89 MAPK1 (0.45) KCNQ2CDK2CDK1CDK4NTRK1
SCHEMBL2918956 0.88 KCNQ2 (0.45) KCNQ2BCHECACNA1GCACNA1HCACNA1I
SCHEMBL2918003 0.88 L3MBTL1 (0.46) KCNQ2BCHECACNA1GCACNA1HCACNA1I
SCHEMBL2924093 0.87 NPY5R (0.46) L3MBTL1CDK2CDK1CDK4CCNA2
SCHEMBL2920035 0.87 NTRK1 (0.45) MAPTNTRK1ALDH1A1KMT2A
SCHEMBL2919288 0.85 KCNQ2 (0.43) KCNQ2BCHECACNA1GCACNA1HCACNA1I
SCHEMBL2915786 0.85 CCNA2 (0.42) KCNQ2MAPTCDK2ALDH1A1AURKA
SCHEMBL2918509 0.84 CDK2 (0.56) KCNQ2BCHECACNA1GCACNA1HCACNA1I

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 2090/4885BCHE 4120/4885CACNA1G 4350/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KCNQ2 2847/4885BCHE 4221/4885CACNA1G 4282/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KCNQ2 2090/4885BCHE 4120/4885CACNA1G 4350/4885

“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.