SCHEMBL2961934

SCHEMBL2961934

CC(O)CNc1nccc(-c2cn(CC#N)nc2-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.52
ROS1 P08922 4/20 0.47
MET P08581 1/20 0.47
ALK Q9UM73 1/20 0.47
MAPK10 P53779 9/20 0.40
CDK8 P49336 1/20 0.37
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
KDM5B Q9UGL1 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
SCHEMBL2640019 1.00 BRAF (0.52) BRAFROS1METALKMAPK10
SCHEMBL2960546 0.89 BRAF (0.53) BRAFROS1METALKCDK8
SCHEMBL13939855 0.87 ACVR1 (0.39) BRAFROS1ALKPIK3CDABL1
SCHEMBL2640207 0.87 BRAF (0.56) BRAFROS1MAPK10CDK8PIK3CD
SCHEMBL2966185 0.87 BRAF (0.67) BRAF
SCHEMBL2639591 0.84 BRAF (0.48) BRAFCDK8
SCHEMBL22473738 0.83 BRAF (0.44) BRAFPIK3CDABL1EGFRHCK
SCHEMBL3912514 0.81 ROS1 (0.55) BRAFROS1METALKMAPK10
SCHEMBL3921193 0.81 ROS1 (0.55) BRAFROS1METALKMAPK10
SCHEMBL3912524 0.81 ROS1 (0.55) BRAFROS1METALKMAPK10

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-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US claimed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP 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 BRAF 1/4885ROS1 25/4885MET 1051/4885

“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.