SCHEMBL2918003

SCHEMBL2918003

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KCNQ2 O43526 1/20 0.45
BCHE P06276 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CDK2 P24941 2/20 0.42
PKM P14618 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
TSHR P16473 2/20 0.41
GLS O94925 2/20 0.41
MAPK10 P53779 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL2918956 0.92 KCNQ2 (0.45) L3MBTL1KCNQ2BCHECACNA1GCACNA1H
SCHEMBL2920926 0.89 KCNQ2 (0.44) L3MBTL1KCNQ2CDK2CDK1CDK4
SCHEMBL2920528 0.89 TSHR (0.43) CACNA1GCACNA1HCACNA1IALDH1A1CDK2
SCHEMBL2918513 0.88 KCNQ2 (0.45) L3MBTL1KCNQ2BCHECACNA1GCACNA1H
SCHEMBL2917381 0.88 TSHR (0.52) KCNQ2ALDH1A1CDK2PKMTSHR
SCHEMBL2919288 0.87 KCNQ2 (0.43) L3MBTL1KCNQ2BCHECACNA1GCACNA1H
SCHEMBL2925589 0.85 NPY5R (0.48) L3MBTL1CDK2CDK1CDK4MAPK10
SCHEMBL2917856 0.84 CDK2 (0.52) L3MBTL1KCNQ2BCHECACNA1GCACNA1H
SCHEMBL2920094 0.84 CDK2 (0.51) L3MBTL1KCNQ2BCHECACNA1GCACNA1H
SCHEMBL2915066 0.83 ALDH1A1 (0.42) KCNQ2ALDH1A1TSHRMAPK10

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 L3MBTL1 3999/4885KCNQ2 2090/4885BCHE 4120/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 L3MBTL1 3671/4885KCNQ2 2847/4885BCHE 4221/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 L3MBTL1 3999/4885KCNQ2 2090/4885BCHE 4120/4885

“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.