SCHEMBL2925012

SCHEMBL2925012

O=C(NC(=O)N1Cc2n[nH]c(NC(=O)c3ccncc3)c2C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.43
CCNA2 P20248 2/20 0.43
CCNA1 P78396 2/20 0.43
AURKA O14965 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
KCNK3 O14649 1/20 0.41
F2 P00734 1/20 0.41
F12 P00748 1/20 0.41
EPHX1 P07099 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2918422 0.94 CCNA2 (0.47) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2921820 0.91 KCNK3 (0.45) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2921859 0.89 RAB9A (0.44) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2923343 0.89 HTT (0.51) CDK2CCNA2CCNA1GAAHTT
SCHEMBL2918738 0.88 CCNA2 (0.47) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2917988 0.88 NPC1 (0.48) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2923522 0.88 CCNA2 (0.47) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2913740 0.88 CCNA2 (0.46) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2919553 0.87 KCNK3 (0.43) CDK2CCNA2CCNA1AURKAGAA
SCHEMBL2916826 0.87 CCNA2 (0.47) CDK2CCNA2CCNA1AURKAGAA

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.