SCHEMBL2914682

SCHEMBL2914682

O=C(Cc1ccsc1)Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NSD2 O96028 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
AURKA O14965 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLS O94925 1/20 0.36
MEN1 O00255 1/20 0.35
GHSR Q92847 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
SCHEMBL2914047 0.90 CCNA2 (0.44) CCNA2CDK2CCNA1AURKAMAPT
SCHEMBL2918128 0.87 POLB (0.44) POLBSIGMAR1L3MBTL1NSD2CCNA2
SCHEMBL2923624 0.86 POLB (0.43) POLBL3MBTL1NSD2AURKAMAPT
SCHEMBL2915411 0.86 HPGD (0.41) CCNA2CDK2CCNA1MAPTKMT2A
SCHEMBL2922353 0.85 POLB (0.42) POLBSIGMAR1L3MBTL1AURKAMAPT
SCHEMBL2924394 0.85 CCNA2 (0.42) POLBCCNA2CDK2CCNA1AURKA
SCHEMBL2915786 0.85 CCNA2 (0.42) POLBSIGMAR1CCNA2CDK2CCNA1
SCHEMBL2914685 0.84 CDK2 (0.54) POLBSIGMAR1L3MBTL1NSD2CCNA2
SCHEMBL2916141 0.83 SIGMAR1 (0.52) POLBSIGMAR1L3MBTL1ITGA4ITGB7
SCHEMBL2918513 0.83 KCNQ2 (0.45) L3MBTL1CCNA2CDK2CCNA1AURKA

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 POLB 1334/4885SIGMAR1 4515/4885L3MBTL1 3999/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 POLB 2264/4885SIGMAR1 3987/4885L3MBTL1 3671/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 POLB 1334/4885SIGMAR1 4515/4885L3MBTL1 3999/4885

“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.