SCHEMBL13199868

SCHEMBL13199868

CSc1nccc(-c2cn(CC#N)nc2-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
ROS1 P08922 7/20 0.37
CSNK1E P49674 1/20 0.33
ALK Q9UM73 4/20 0.33
HTR6 P50406 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TGFBR1 P36897 1/20 0.32
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL13199869 0.89 CYP2C19 (0.38) CYP2C19ROS1ALKHTR6L3MBTL1
SCHEMBL13939853 0.86 BRAF (0.37) CYP2C19ROS1ALK
SCHEMBL2963637 0.84 BRAF (0.45) CYP2C19ROS1ALKMET
SCHEMBL2963641 0.84 BRAF (0.45) CYP2C19ROS1ALKMET
SCHEMBL2960526 0.80 CYP2C19 (0.43) CYP2C19CSNK1EHTR6L3MBTL1MAPK13
SCHEMBL2965356 0.78 ACVR1 (0.38) CYP2C19CSNK1EMAPK14TGFBR1
SCHEMBL20573886 0.78 CYP2C19 (0.30) CYP2C19
SCHEMBL2968816 0.78 BRAF (0.37) CYP2C19CSNK1EHTR6MAPK14TGFBR1
SCHEMBL2959107 0.78 CYP2C19 (0.43) CYP2C19CSNK1EHTR6L3MBTL1MAPK13
SCHEMBL20573409 0.77 CYP2C19 (0.38) CYP2C19HTR6L3MBTL1RAPGEF4TGFBR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO 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 (1 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS CYP2C19 45/4885ROS1 25/4885CSNK1E 1096/4885

“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.