SCHEMBL11971082

SCHEMBL11971082

CN(C)C(=O)c1nn(-c2ccnc(N)n2)c2cc(C#C[Si](C)(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.43
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ MAP3K14 Q99558 16/20 0.38
▸ CDC7 O00311 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ TTBK1 Q5TCY1 2/20 0.35
▸ PRKD1 Q15139 2/20 0.34

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
SCHEMBL11970990 0.87 CDC7 (0.48) PAK4PIKFYVEMAP3K14CDC7CDK2
SCHEMBL11970357 0.87 PAK4 (0.60) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971109 0.84 MAP3K14 (0.49) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11970466 0.83 PAK4 (0.47) PAK4PIKFYVEMAP3K14TTBK1PRKD1
SCHEMBL11971511 0.82 MAP3K14 (0.46) PAK4PIKFYVEMAP3K14CDC7CDK2
SCHEMBL11971051 0.81 PAK4 (0.46) PAK4PIKFYVEMAP3K14CDC7CDK2
SCHEMBL11970416 0.81 PAK4 (0.49) PAK4PIKFYVEMAP3K14
SCHEMBL11970420 0.81 PAK4 (0.49) PAK4PIKFYVEMAP3K14
SCHEMBL11970958 0.81 MAP3K14 (0.53) PAK4PIKFYVEMAP3K14PRKD1
SCHEMBL11970622 0.81 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 8 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
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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