SCHEMBL2913789

SCHEMBL2913789

COc1cccc(C(=O)Nc2n[nH]c3c2CN(S(C)(=O)=O)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.54
CDK2 P24941 4/20 0.54
CCNA1 P78396 4/20 0.54
AURKA O14965 3/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NTRK1 P04629 1/20 0.49
PRKCB P05771 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
EP300 Q09472 1/20 0.46
CREBBP Q92793 1/20 0.46
MEN1 O00255 2/20 0.46
BRD4 O60885 1/20 0.45

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
SCHEMBL2919279 0.92 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2914911 0.90 CDK2 (0.55) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2917065 0.88 AURKA (0.70) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2913925 0.87 CCNA2 (0.55) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL2917691 0.86 NTRK1 (0.55) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2920584 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL2923051 0.86 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAMAPT
SCHEMBL2914273 0.86 CCNA2 (0.71) CCNA2CDK2CCNA1AURKANTRK1
SCHEMBL2913782 0.85 CDK2 (0.55) CCNA2CDK2CCNA1AURKAALDH1A1
SCHEMBL2915238 0.85 AURKA (0.67) CCNA2CDK2CCNA1AURKANTRK1

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.