SCHEMBL2640166

SCHEMBL2640166

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.41
ACVR1 Q04771 1/20 0.41
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
MTOR P42345 2/20 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
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
RIPK1 Q13546 1/20 0.36
NUDT1 P36639 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35

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
SCHEMBL2640189 0.92 BRAF (0.40) BRAFACVR1PIK3CDPIK3CAPIK3CB
SCHEMBL13941231 0.89 ACVR1 (0.42) BRAFACVR1PIK3CDPIK3CAPIK3CB
SCHEMBL22360680 0.89 BRAF (0.45) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2639673 0.87 BRAF (0.54) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2639974 0.84 BRAF (0.40) BRAFACVR1JAK2TYK2JAK1
SCHEMBL22473738 0.84 BRAF (0.44) BRAFACVR1PIK3CDPIK3CAPIK3CB
SCHEMBL29352906 0.83 BRAF (0.44) BRAFACVR1RIPK1NUDT1
SCHEMBL2639988 0.83 BRAF (0.44) BRAFACVR1RIPK1NUDT1
SCHEMBL2639736 0.83 ACVR1 (0.42) BRAFACVR1JAK2TYK2FEN1
SCHEMBL13939855 0.81 ACVR1 (0.39) BRAFACVR1PIK3CDPIK3CAPIK3CB

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 12 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
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

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 4191/4885PIK3CD 171/4885

“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.