SCHEMBL2918052

SCHEMBL2918052

N#Cc1cccc(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)Cc2ccccc2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
GRM5 P41594 2/20 0.42
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
PAK4 O96013 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
PRKX P51817 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
MELK Q14680 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42

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
SCHEMBL2919056 0.90 CDK2 (0.42) NTRK1CDC7DAPK3ROCK2PAK4
SCHEMBL2914214 0.88 NTRK1 (0.42) NTRK1CDK2
SCHEMBL2920035 0.86 NTRK1 (0.45) NTRK1GRM5RORC
SCHEMBL2918855 0.86 MAPK1 (0.52) NTRK1GRM5CDC7DAPK3ROCK2
SCHEMBL2919737 0.86 NTRK1 (0.45) NTRK1GRM5CDC7DAPK3PAK4
SCHEMBL2925033 0.86 IRAK4 (0.43) NTRK1GRM5IRAK4NAMPTOPRM1
SCHEMBL2917687 0.86 ALDH1A1 (0.54) NTRK1CDC7DAPK3ROCK2PAK4
SCHEMBL2913779 0.85 GRM5 (0.45) NTRK1GRM5IRAK4CNR1L3MBTL1
SCHEMBL2918057 0.85 NTRK1 (0.54) NTRK1GRM5CDC7DAPK3ROCK2
SCHEMBL2914993 0.84 NTRK1 (0.51) NTRK1GRM5CDC7DAPK3ROCK2

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 NTRK1 2610/4885GRM5 2887/4885CDC7 120/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NTRK1 4175/4885GRM5 2547/4885CDC7 174/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NTRK1 2610/4885GRM5 2887/4885CDC7 120/4885

“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.