SCHEMBL2921675

SCHEMBL2921675

O=C(Nc1n[nH]c2c1CN(C(=O)Nc1ccccc1)C2)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.71
CCNA2 P20248 8/20 0.71
CCNA1 P78396 8/20 0.71
AURKA O14965 17/20 0.64
AURKB Q96GD4 7/20 0.52
FLT3 P36888 2/20 0.52
LIMK1 P53667 2/20 0.52
LIMK2 P53671 2/20 0.52
AURKC Q9UQB9 2/20 0.52
ALK Q9UM73 1/20 0.51
NAMPT P43490 1/20 0.49
ABL1 P00519 2/20 0.49
NTRK1 P04629 2/20 0.49
RET P07949 2/20 0.49
BCR P11274 2/20 0.49
FGFR1 P11362 2/20 0.49
PLK4 O00444 1/20 0.49
EPHB6 O15197 1/20 0.49
JAK2 O60674 1/20 0.49
STK16 O75716 1/20 0.49

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
SCHEMBL2919267 0.92 AURKA (0.74) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2919310 0.90 CDK2 (0.66) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2916467 0.89 AURKA (0.72) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2918970 0.89 AURKA (0.71) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2923910 0.89 CDK2 (0.64) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2913745 0.89 CDK2 (0.71) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2913509 0.89 CCNA2 (0.74) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2920332 0.88 AURKA (0.69) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2923346 0.88 CCNA2 (0.66) CDK2CCNA2CCNA1AURKAAURKB
SCHEMBL2914106 0.87 AURKA (0.74) CDK2CCNA2CCNA1AURKAAURKB

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.