SCHEMBL11971063

SCHEMBL11971063

Cc1nn(-c2ccnc(N)n2)c2cc(C#C[C@@](C)(O)c3nccs3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.56
▸ MAP3K14 Q99558 18/20 0.53
▸ PIKFYVE Q9Y2I7 1/20 0.52
▸ MAP4K4 O95819 1/20 0.49

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
SCHEMBL11970381 1.00 PAK4 (0.56) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970387 1.00 PAK4 (0.56) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970864 0.88 PAK4 (0.51) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970497 0.87 PAK4 (0.55) PAK4MAP3K14PIKFYVE
SCHEMBL11970912 0.86 PAK4 (0.53) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970420 0.86 PAK4 (0.49) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970416 0.86 PAK4 (0.49) PAK4MAP3K14PIKFYVEMAP4K4
SCHEMBL11970238 0.85 MAP3K14 (0.54) PAK4MAP3K14
SCHEMBL11970239 0.85 MAP3K14 (0.54) PAK4MAP3K14
SCHEMBL11970602 0.85 PAK4 (0.52) PAK4MAP3K14PIKFYVEMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US 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 (2 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-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA PAK4 1856/4885MAP3K14 519/4885PIKFYVE 3647/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA PAK4 1856/4885MAP3K14 519/4885PIKFYVE 3647/4885

“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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