SCHEMBL11970705

SCHEMBL11970705

Cn1cnc(C(C)(O)C#Cc2ccc3c(C(=O)N4CCOCC4)nn(-c4ccnc(N)n4)c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.42
▸ PIKFYVE Q9Y2I7 1/20 0.42
▸ MAP3K14 Q99558 11/20 0.39
▸ TTBK1 Q5TCY1 5/20 0.39
▸ PRKD1 Q15139 2/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL11970651 0.92 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11970739 0.92 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11970523 0.92 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971012 0.88 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971019 0.88 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971444 0.88 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11970633 0.87 PAK4 (0.44) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL12001735 0.86 TTBK1 (0.36) PAK4PIKFYVETTBK1GRM5
SCHEMBL11970956 0.85 PAK4 (0.42) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971093 0.85 PAK4 (0.45) PAK4PIKFYVEMAP3K14TTBK1PRKD1

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
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US claimed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US claimed
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 PAK4 1856/4885PIKFYVE 3647/4885MAP3K14 519/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA PAK4 1856/4885PIKFYVE 3647/4885MAP3K14 519/4885

“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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