SCHEMBL2916420

SCHEMBL2916420

CC(C)(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)c2ccc(F)cc2)C3(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.77
CCNA2 P20248 14/20 0.77
CCNA1 P78396 14/20 0.77
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNE1 P24864 1/20 0.62
GSK3B P49841 1/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
NTRK1 P04629 4/20 0.59
PAK4 O96013 1/20 0.56
PRKCB P05771 1/20 0.55

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
SCHEMBL3456901 0.87 CDK2 (1.00) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2916796 0.87 CDK2 (0.68) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2915893 0.86 CDK2 (0.80) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2916424 0.82 CCNA2 (0.52) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2921916 0.82 CCNA2 (0.66) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2917662 0.80 AURKA (0.67) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL13914858 0.80 CDK2 (0.69) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL15252792 0.79 CDK2 (0.65) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2919751 0.79 CDK2 (0.58) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL2919859 0.79 CDK2 (0.68) CDK2CCNA2CCNA1NTRK1PAK4

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 CDK2 43/4885CCNA2 848/4885CCNA1 793/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CDK2 70/4885CCNA2 1043/4885CCNA1 1090/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CDK2 43/4885CCNA2 848/4885CCNA1 793/4885

“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.