SCHEMBL2922832

SCHEMBL2922832

COc1ccccc1C(=O)Nc1n[nH]c2c1CN(S(C)(=O)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
CCNA1 P78396 4/20 0.47
AURKA O14965 3/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44

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
SCHEMBL2920587 0.92 CCNA2 (0.47) SMN1; SMN2TP53ALDH1A1MAPTHPGD
SCHEMBL2913086 0.88 GLA (0.50) TP53MAPTCCNA2CDK2CCNA1
SCHEMBL2918082 0.87 CCNA2 (0.51) SMN1; SMN2TP53ALDH1A1MAPTHPGD
SCHEMBL2920719 0.86 ALDH1A1 (0.46) TP53ALDH1A1MAPTHPGDMAPK1
SCHEMBL2914442 0.86 CCNA2 (0.49) MAPTHPGDCCNA2CDK2CCNA1
SCHEMBL2916753 0.86 AURKA (0.49) CCNA2CDK2CCNA1AURKAPOLB
SCHEMBL2915464 0.86 AURKA (0.52) CCNA2CDK2CCNA1AURKABRD4
SCHEMBL2923054 0.85 CCNA2 (0.48) TP53MAPTRAB9ACCNA2CDK2
SCHEMBL2923681 0.85 CCNA2 (0.48) SMN1; SMN2MAPTHPGDCCNA2CDK2
SCHEMBL2916009 0.83 POLB (0.51) SMN1; SMN2ALDH1A1MAPTHPGDRAB9A

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 SMN1; SMN2 3514/4885TP53 779/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SMN1; SMN2 2568/4885TP53 577/4885ALDH1A1 3455/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885TP53 779/4885ALDH1A1 4090/4885

“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.