SCHEMBL2640047

SCHEMBL2640047

COc1cc(-c2nn(C(C)(C)C)cc2-c2ccncn2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.46
▸ EGFR P00533 3/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ FRK P42685 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ PIK3CA P42336 3/20 0.37
▸ SRC P12931 3/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ CCNT1 O60563 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
SCHEMBL2639742 0.77 BRAF (0.66) BRAFMAPK9CSNK1A1PIK3CAPIK3CD
SCHEMBL68940 0.68 MAPK13 (0.64) BRAFMAPK9
SCHEMBL2639965 0.67 BRAF (0.53) BRAFPIK3CACCNT1CCNA2CDK2
SCHEMBL13939890 0.65 BRAF (0.63) BRAFEGFRPIK3CAPIK3CDPIK3CG
SCHEMBL14414286 0.64 MAP4K4 (0.65) BRAFEGFRMAP4K4FRKMAPK9
SCHEMBL16370824 0.64 AAK1 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2640216 0.64 BRAF (0.71) BRAFCCNT1CCNA2CDK2CDK9
SCHEMBL7077615 0.63 SRC (0.51) EGFRPIK3CASRCABL1PIK3CD
SCHEMBL67844 0.63 BRAF (0.53) BRAFMTOR
SCHEMBL1445133 0.63 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9CCNA1

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 1/4885EGFR 494/4885MAP4K4 121/4885

“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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