SCHEMBL2964932

SCHEMBL2964932

CCn1cc(CNc2nccc(-c3cn(C(C)C)nc3-c3cnc4[nH]ccc4c3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.47
ACVR1 Q04771 7/20 0.40
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 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
SCHEMBL13217429 0.85 BRAF (0.52) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639891 0.83 BRAF (0.47) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2966185 0.83 BRAF (0.67) BRAF
SCHEMBL2640261 0.83 BRAF (0.53) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640224 0.83 BRAF (0.51) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2640009 0.82 BRAF (0.49) BRAFACVR1PIK3CDABL1EGFR
SCHEMBL2640185 0.81 BRAF (0.54) BRAFKDR
SCHEMBL2639673 0.81 BRAF (0.54) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639617 0.80 BRAF (0.47) BRAFPIK3CDABL1EGFRHCK
SCHEMBL2639917 0.80 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
CN-101815712-A Pyrazole compound and as the purposes of RAF inhibitor PFIZER 2010-08-25 CN claimed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US claimed
CN-101815712-A Pyrazole compound and as the purposes of RAF inhibitor PFIZER 2010-08-25 CN 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
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

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 1/4885ACVR1 4191/4885PDE1A 2957/4885

“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.