SCHEMBL2921749

SCHEMBL2921749

O=C(Cc1ccccc1)Nc1[nH]nc2c1CN(NC(=O)NCc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CCNA1 P78396 4/20 0.42
AURKA O14965 1/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 2/20 0.40
NPY5R Q15761 1/20 0.40
MMP3 P08254 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.38
ROCK1 Q13464 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL2918861 0.91 CCNA2 (0.40) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2924751 0.91 CDK2 (0.44) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2921753 0.82 CDK2 (0.64) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2924407 0.82 CDK2 (0.42) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2919432 0.81 NPY5R (0.42) CCNA2CDK2CCNA1GAAMAPT
SCHEMBL2923593 0.80 ALDH1A1 (0.40) CCNA2CDK2CCNA1ALDH1A1GAA
SCHEMBL2925551 0.80 CCNA2 (0.46) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2921186 0.79 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL3134595 0.79 HPGD (0.48) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2925642 0.79 CCNA2 (0.41) CCNA2CDK2CCNA1AURKAGAA

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