SCHEMBL2916576

SCHEMBL2916576

NS(=O)(=O)N1Cc2n[nH]c(NC(=O)Cc3cccs3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA5A P35218 5/20 0.48
CA7 P43166 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA13 Q8N1Q1 2/20 0.48
POLB P06746 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
ESR2 Q92731 4/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 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
SCHEMBL2921027 0.91 HTT (0.47) CA1CA2CA5ACA7CA5B
SCHEMBL2923209 0.90 NAMPT (0.39) CA1CA2CA5ACA7CA5B
SCHEMBL2922353 0.86 POLB (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL2918888 0.85 CCNA2 (0.45) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2920656 0.85 POLB (0.45) POLBMEN1KMT2ACTDSP1L3MBTL1
SCHEMBL2922709 0.83 AURKA (0.45) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2922541 0.82 KMT2A (0.48) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2917524 0.82 CCNA2 (0.48) CA1CA2CA5ACA7CA5B
SCHEMBL2918128 0.82 POLB (0.44) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL2916579 0.82 AURKA (0.52) CA1CA2CA5ACA7CA5B

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 CA1 4824/4885CA2 4111/4885CA5A 3579/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CA1 4829/4885CA2 4462/4885CA5A 3000/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CA1 4824/4885CA2 4111/4885CA5A 3579/4885

“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.