SCHEMBL11970633

SCHEMBL11970633

CC(O)(C#Cc1ccc2c(C(=O)N3CCOCC3)nn(-c3ccnc(N)n3)c2c1)c1ncco1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.44
▸ PIKFYVE Q9Y2I7 2/20 0.44
▸ MAP3K14 Q99558 11/20 0.44
▸ PRKD1 Q15139 2/20 0.44
▸ TTBK1 Q5TCY1 7/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ TTBK2 Q6IQ55 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
SCHEMBL11970739 0.91 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970523 0.91 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970651 0.91 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970488 0.90 MAP3K14 (0.48) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970337 0.89 PAK4 (0.44) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970956 0.87 PAK4 (0.42) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970705 0.87 PAK4 (0.42) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11971093 0.87 PAK4 (0.45) PAK4PIKFYVEMAP3K14PRKD1TTBK1
SCHEMBL11970478 0.87 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14PRKD1
SCHEMBL11971444 0.87 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14PRKD1TTBK1

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 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
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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