SCHEMBL2640261

SCHEMBL2640261

CC(C)n1cc(-c2ccnc(NCCO)n2)c(-c2cnc3[nH]ccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.53
EIF2AK2 P19525 2/20 0.42
FEN1 P39748 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PGRMC1 O00264 1/20 0.39
RIPK2 O43353 1/20 0.39
NR1I2 O75469 1/20 0.39
CDK4 P11802 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL13217429 0.92 BRAF (0.52) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640224 0.91 BRAF (0.51) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640185 0.89 BRAF (0.54) BRAFKDRPGRMC1RIPK2NR1I2
SCHEMBL2966185 0.89 BRAF (0.67) BRAFPGRMC1RIPK2NR1I2CDK4
SCHEMBL2639673 0.89 BRAF (0.54) BRAFPIK3CDABL1EGFRHCK
SCHEMBL13200398 0.87 BRAF (0.49) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639735 0.87 BRAF (0.49) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639917 0.86 BRAF (0.49) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639891 0.86 BRAF (0.47) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640009 0.85 BRAF (0.49) BRAFPIK3CDABL1EGFRHCK

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
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-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
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 1/4885EIF2AK2 3105/4885FEN1 2463/4885

“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.