SCHEMBL2914606

SCHEMBL2914606

NS(=O)(=O)N1Cc2[nH]nc(NC(=O)C3CCCC3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.42
CDK2 P24941 7/20 0.42
CCNA1 P78396 7/20 0.42
TSHR P16473 1/20 0.40
DPP4 P27487 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
GSK3A P49840 4/20 0.38
GSK3B P49841 4/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
BRS3 P32247 1/20 0.35

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
SCHEMBL2917762 0.95 DPP4 (0.43) CCNA2CDK2CCNA1DPP4GSK3A
SCHEMBL2918454 0.89 CCNA2 (0.43) CCNA2CDK2CCNA1TSHRDPP4
SCHEMBL2922826 0.84 CCNA2 (0.44) CCNA2CDK2CCNA1DPP4SMN1; SMN2
SCHEMBL2917244 0.81 CCNA2 (0.55) CCNA2CDK2CCNA1TSHRDPP4
SCHEMBL2919002 0.81 CCNA2 (0.45) CCNA2CDK2CCNA1SMN1; SMN2AURKA
SCHEMBL2914704 0.80 CCNA2 (0.44) CCNA2CDK2CCNA1AURKA
SCHEMBL2922564 0.79 CCNA2 (0.58) CCNA2CDK2CCNA1TSHRMEN1
SCHEMBL2914605 0.78 GSK3A (0.40) CCNA2CDK2TSHRCA1CA2
SCHEMBL2914044 0.77 CCNA2 (0.42) CCNA2CDK2CCNA1CA1CA2
SCHEMBL2918871 0.75 CDK2 (0.57) CCNA2CDK2CCNA1DPP4GSK3A

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.