SCHEMBL2913086

SCHEMBL2913086

COc1cccc(OC)c1C(=O)Nc1n[nH]c2c1CN(S(C)(=O)=O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.50
CCNA2 P20248 6/20 0.47
CDK2 P24941 6/20 0.47
CCNA1 P78396 6/20 0.47
AURKA O14965 6/20 0.47
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL2920663 0.92 CCNA2 (0.47) GLATSHRCCNA2CDK2CCNA1
SCHEMBL2922832 0.88 SMN1; SMN2 (0.51) TSHRCCNA2CDK2CCNA1AURKA
SCHEMBL2918491 0.85 CCNA2 (0.45) TSHRCCNA2CDK2CCNA1AURKA
SCHEMBL2916869 0.83 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAGAA
SCHEMBL2924046 0.83 CCNA2 (0.68) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2913789 0.82 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAGAA
SCHEMBL2923393 0.82 CDK2 (0.56) CCNA2CDK2CCNA1AURKAEP300
SCHEMBL2917065 0.82 AURKA (0.70) CCNA2CDK2CCNA1AURKAGAA
SCHEMBL2913083 0.82 GLA (0.51) GLATSHRGAAMAPTGFER
SCHEMBL2918082 0.82 CCNA2 (0.51) TSHRCCNA2CDK2CCNA1AURKA

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 GLA 3983/4885TSHR 4177/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 GLA 3693/4885TSHR 4265/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 GLA 3983/4885TSHR 4177/4885CCNA2 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.