SCHEMBL11971019

SCHEMBL11971019

Cc1nc([C@@](C)(O)C#Cc2ccc3c(C(=O)N4CCOCC4)nn(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 18/20 0.49
▸ PAK4 O96013 1/20 0.42
▸ PIKFYVE Q9Y2I7 1/20 0.42
▸ PRKD1 Q15139 2/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.39

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
SCHEMBL11971444 1.00 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11971012 1.00 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970530 0.93 MAP3K14 (0.48) MAP3K14PAK4PIKFYVEPRKD1
SCHEMBL11970523 0.91 MAP3K14 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970651 0.91 MAP3K14 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11970739 0.91 MAP3K14 (0.46) MAP3K14PAK4PIKFYVEPRKD1TTBK1
SCHEMBL11971107 0.90 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1
SCHEMBL11970478 0.89 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1
SCHEMBL11970822 0.89 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1
SCHEMBL11970276 0.89 MAP3K14 (0.49) MAP3K14PAK4PIKFYVEPRKD1

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 10 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
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 MAP3K14 519/4885PAK4 1856/4885PIKFYVE 3647/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA MAP3K14 519/4885PAK4 1856/4885PIKFYVE 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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