SCHEMBL11970990

SCHEMBL11970990

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ MAP3K14 Q99558 14/20 0.47
▸ PAK4 O96013 1/20 0.40
▸ PIKFYVE Q9Y2I7 1/20 0.40
▸ TTBK1 Q5TCY1 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 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
SCHEMBL11971082 0.87 PAK4 (0.43) CDC7CDK2MAP3K14PAK4PIKFYVE
SCHEMBL11970357 0.85 PAK4 (0.60) MAP3K14PAK4PIKFYVETTBK1
SCHEMBL11971511 0.84 MAP3K14 (0.46) CDC7CDK2MAP3K14PAK4PIKFYVE
SCHEMBL11971109 0.82 MAP3K14 (0.49) MAP3K14PAK4PIKFYVETTBK1
SCHEMBL12001615 0.82 TTBK1 (0.40) CDC7CDK2MAP3K14PAK4PIKFYVE
SCHEMBL11970466 0.81 PAK4 (0.47) MAP3K14PAK4PIKFYVETTBK1
SCHEMBL11971330 0.80 CDC7 (0.56) CDC7CDK2MAP3K14PAK4PIKFYVE
SCHEMBL11970420 0.80 PAK4 (0.49) MAP3K14PAK4PIKFYVE
SCHEMBL11970416 0.80 PAK4 (0.49) MAP3K14PAK4PIKFYVE
SCHEMBL11971048 0.78 PAK4 (0.45) MAP3K14PAK4PIKFYVETTBK1

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 CDC7 4283/4885CDK2 2025/4885MAP3K14 519/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA CDC7 4283/4885CDK2 2025/4885MAP3K14 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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