SCHEMBL2957753

SCHEMBL2957753

Cc1n[nH]c2ncc(-c3nn(C(C)(C)CO)cc3-c3ccnc(NCCC#N)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.38
▸ ACVR1 Q04771 1/20 0.33
▸ MAPK9 P45984 4/20 0.33
▸ CSNK1D P48730 4/20 0.33
▸ PRKD2 Q9BZL6 4/20 0.33
▸ PRKD3 O94806 3/20 0.33
▸ MAP4K4 O95819 3/20 0.33
▸ MAPK8 P45983 3/20 0.33
▸ TAOK1 Q7L7X3 3/20 0.33
▸ MINK1 Q8N4C8 3/20 0.33
▸ CSNK1A1 P48729 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CSNK1G2 P78368 2/20 0.33
▸ CSNK1G3 Q9Y6M4 2/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ FRK P42685 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ MAP4K5 Q9Y4K4 1/20 0.33
▸ PRKCG P05129 1/20 0.32
▸ EPHA2 P29317 1/20 0.32

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
SCHEMBL2639974 0.92 BRAF (0.40) BRAFACVR1MAPK9CSNK1DPRKD2
SCHEMBL2639939 0.88 BRAF (0.38) BRAFACVR1EIF2AK2
SCHEMBL2959510 0.86 BRAF (0.41) BRAFACVR1MAPK9CSNK1DPRKD2
SCHEMBL2639843 0.86 BRAF (0.41) BRAFACVR1EIF2AK2
SCHEMBL2640189 0.85 BRAF (0.40) BRAFACVR1EGFREIF2AK2
SCHEMBL2639985 0.85 BRAF (0.52) BRAFMAPK9MAPK8CSNK1A1GSK3B
SCHEMBL2639622 0.84 BRAF (0.43) BRAFACVR1MAPK9CSNK1DPRKD2
SCHEMBL2639638 0.82 BRAF (0.43) BRAFACVR1MAP3K14
SCHEMBL2639692 0.82 BRAF (0.38) BRAFACVR1
SCHEMBL13941216 0.82 ACVR1 (0.41) BRAFACVR1MAPK9CSNK1DPRKD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 — — US 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
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 4191/4885MAPK9 82/4885

“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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