SCHEMBL2914882

SCHEMBL2914882

CC(=O)Nc1ccc(C(=O)Nc2[nH]nc3c2CN(C(N)=O)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
AURKA O14965 4/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 6/20 0.40
AGER Q15109 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL2917806 0.91 CCNA2 (0.50) CACNA1BAPBA1CCNA2CDK2CCNA1
SCHEMBL2918475 0.90 CCNA2 (0.43) CCNA2CDK2CCNA1AURKAPOLB
SCHEMBL2922421 0.87 CCNA2 (0.51) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2920326 0.86 CACNA1B (0.48) CACNA1BAPBA1CCNA2CDK2CCNA1
SCHEMBL2918592 0.86 NAMPT (0.45) CACNA1BAPBA1CCNA2CDK2CCNA1
SCHEMBL2919723 0.85 NPC1 (0.44) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2920414 0.85 CCNA2 (0.50) CCNA2CDK2CCNA1AURKAMAPT
SCHEMBL2921759 0.85 CCNA2 (0.48) CCNA2CDK2CCNA1AURKAMAPT
SCHEMBL2919486 0.84 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2921568 0.84 CCNA2 (0.38) CCNA2CDK2CCNA1AURKA

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 CACNA1B 3903/4885APBA1 1580/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CACNA1B 3858/4885APBA1 1752/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CACNA1B 3903/4885APBA1 1580/4885CCNA2 848/4885

“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.