SCHEMBL2639757

SCHEMBL2639757

COc1cc(-c2nn(C3CCOCC3)cc2-c2ccnc(NCCC#N)n2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.52
▸ ACVR1 Q04771 6/20 0.42
▸ MKNK1 Q9BUB5 3/20 0.40
▸ MAP3K14 Q99558 1/20 0.38
▸ IKBKE Q14164 4/20 0.37
▸ TBK1 Q9UHD2 4/20 0.37
▸ ATR Q13535 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK3 P52333 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
SCHEMBL2639670 0.95 BRAF (0.56) BRAFACVR1IKBKETBK1
SCHEMBL2640075 0.87 BRAF (0.60) BRAFACVR1MKNK1IKBKETBK1
SCHEMBL2639780 0.86 BRAF (0.60) BRAFACVR1MKNK1JAK2JAK3
SCHEMBL2639884 0.82 ACVR1 (0.49) BRAFACVR1MKNK1MAP3K14
SCHEMBL2640247 0.81 BRAF (0.64) BRAFACVR1JAK2JAK3
SCHEMBL2640057 0.80 BRAF (0.59) BRAFACVR1MAP3K14IKBKETBK1
SCHEMBL2639880 0.79 ACVR1 (0.42) BRAFACVR1MKNK1MAP3K14IKBKE
SCHEMBL2639965 0.77 BRAF (0.53) BRAF
SCHEMBL13939890 0.76 BRAF (0.63) BRAFACVR1MKNK1
SCHEMBL2959597 0.75 BRAF (0.73) BRAFACVR1JAK2JAK3

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 13 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
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 4191/4885MKNK1 366/4885

“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.

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