SCHEMBL2918489

SCHEMBL2918489

COc1cccc(OC)c1C(=O)Nc1[nH]nc2c1CN(S(=O)(=O)c1ccccc1C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAC1 P63000 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL2922508 0.91 ALDH1A1 (0.44) CNR2TSHRATMKMT2ATP53
SCHEMBL2920636 0.86 CNR2 (0.47) CNR2TSHRKMT2AGAATP53
SCHEMBL2913083 0.85 GLA (0.51) GLATSHRKMT2AGAATP53
SCHEMBL2920658 0.85 GLA (0.43) GLATSHRKMT2AGAATP53
SCHEMBL2915635 0.85 ALDH1A1 (0.48) CNR2KMT2AGAATP53SMN1; SMN2
SCHEMBL2915484 0.85 TP53 (0.41) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL2919538 0.84 SMN1; SMN2 (0.46) TSHRKMT2AGAATP53SMN1; SMN2
SCHEMBL2918622 0.84 TP53 (0.42) CNR2TSHRTP53SMN1; SMN2POLB
SCHEMBL2922952 0.84 MAPT (0.41) CNR2TSHRKMT2AGAATP53
SCHEMBL2917983 0.84 KMT2A (0.41) CNR2TSHRKMT2ATP53CYP1A2

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 CNR2 3207/4885GLA 3983/4885TSHR 4177/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CNR2 2295/4885GLA 3693/4885TSHR 4265/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CNR2 3207/4885GLA 3983/4885TSHR 4177/4885

“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.