SCHEMBL13199869

SCHEMBL13199869

CS(=O)(=O)c1nccc(-c2cn(CC#N)nc2-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
ROS1 P08922 10/20 0.37
HTR6 P50406 4/20 0.33
ALK Q9UM73 7/20 0.33
MET P08581 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.32
CYP3A4 P08684 1/20 0.32
BRAF P15056 1/20 0.32
JAK3 P52333 1/20 0.32
MAPK10 P53779 1/20 0.32
KCNH2 Q12809 1/20 0.32
ERBB4 Q15303 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
PKM P14618 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
SCHEMBL13199868 0.89 CYP2C19 (0.38) CYP2C19ROS1HTR6ALKMET
SCHEMBL20573409 0.88 CYP2C19 (0.38) CYP2C19HTR6L3MBTL1EGFRCYP3A4
SCHEMBL13939853 0.86 BRAF (0.37) CYP2C19ROS1ALKBRAF
SCHEMBL2963637 0.85 BRAF (0.45) CYP2C19ROS1ALKMETBRAF
SCHEMBL2963641 0.85 BRAF (0.45) CYP2C19ROS1ALKMETBRAF
SCHEMBL2966602 0.78 ACVR1 (0.38) CYP2C19JAK3
SCHEMBL20573357 0.78 CYP2C19 (0.30) CYP2C19
SCHEMBL3979668 0.73 ROS1 (0.49) ROS1ALKMETEGFRBRAF
SCHEMBL3918438 0.73 ROS1 (0.60) ROS1ALKMETBRAF
SCHEMBL3911878 0.72 ROS1 (0.49) ROS1ALKMETBRAF

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 25/4885HTR6 4165/4885

“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.