SCHEMBL2639673

SCHEMBL2639673

CC(C)n1cc(-c2ccnc(NCCC#N)n2)c(-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.54
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
MAPK14 Q16539 2/20 0.37
PGRMC1 O00264 1/20 0.37
RIPK2 O43353 1/20 0.37
NR1I2 O75469 1/20 0.37
CDK4 P11802 1/20 0.37
CHRM3 P20309 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL22360680 0.90 BRAF (0.45) BRAFPIK3CDABL1EGFRHCK
SCHEMBL13217429 0.89 BRAF (0.52) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640224 0.89 BRAF (0.51) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640261 0.89 BRAF (0.53) BRAFPIK3CDABL1EGFRHCK
SCHEMBL22473738 0.88 BRAF (0.44) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640166 0.87 BRAF (0.41) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640185 0.87 BRAF (0.54) BRAFKDRMAPK14PGRMC1RIPK2
SCHEMBL29352906 0.86 BRAF (0.44) BRAFRIPK1
SCHEMBL2639988 0.86 BRAF (0.44) BRAFRIPK1
SCHEMBL2639808 0.85 BRAF (0.56) BRAFMAPK14PGRMC1RIPK2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792126-B2 2011-10-12 JP claimed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP claimed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US claimed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO claimed
US-10787443-B2 RAF-degrading conjugate compounds ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-09-29 US disclosed
WO-2020168172-A1 CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-08-20 WO disclosed
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-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
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
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 (2 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 1/4885PIK3CD 171/4885ABL1 80/4885
US-10787443-B2 RAF-degrading conjugate compounds BRAF, RAF1, ARAF BRAF 1/4885PIK3CD 865/4885ABL1 1200/4885

“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.