SCHEMBL2639780

SCHEMBL2639780

COc1cc(-c2nn(C)cc2-c2ccnc(NCCC#N)n2)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.60
PIK3CA P42336 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
STAT3 P40763 1/20 0.36
JAK3 P52333 1/20 0.36
ACVR1 Q04771 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKD3 O94806 1/20 0.35
EGFR P00533 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
LCK P06239 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 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
SCHEMBL13939890 0.89 BRAF (0.63) BRAFPIK3CAACVR1MKNK1DYRK1A
SCHEMBL2639670 0.88 BRAF (0.56) BRAFPIK3CAACVR1
SCHEMBL2640057 0.87 BRAF (0.59) BRAFPIK3CAACVR1PIK3CDPIK3CG
SCHEMBL2639757 0.86 BRAF (0.52) BRAFJAK2JAK3ACVR1MKNK1
SCHEMBL22360680 0.81 BRAF (0.45) BRAFPIK3CAJAK2JAK1TYK2
SCHEMBL2962743 0.78 BRAF (0.56) BRAFPIK3CAJAK2ACVR1MKNK1
SCHEMBL13941233 0.76 BRAF (0.60) BRAFPIK3CAACVR1MKNK1PRKD3
SCHEMBL2961902 0.76 BRAF (0.46) BRAFACVR1
SCHEMBL2639622 0.75 BRAF (0.43) BRAFJAK2JAK1TYK2STAT3
SCHEMBL2639844 0.75 BRAF (0.57) BRAF

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 1/4885PIK3CA 72/4885JAK2 214/4885

“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.