SCHEMBL11970849

SCHEMBL11970849

CC(O)(Cc1nn(-c2ccnc(N)n2)c2cc(Br)ccc12)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 4/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ TTBK1 Q5TCY1 9/20 0.41
▸ ROCK1 Q13464 2/20 0.39
▸ PAK4 O96013 1/20 0.37
▸ PIKFYVE Q9Y2I7 1/20 0.37
▸ TTBK2 Q6IQ55 2/20 0.37
▸ HRH4 Q9H3N8 4/20 0.35
▸ PDGFRA P16234 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL11970995 0.81 CDC7 (0.50) MAP3K14CDC7CDK2TTBK1ROCK1
SCHEMBL11970947 0.81 MAP3K14 (0.50) MAP3K14CDC7CDK2TTBK1ROCK1
SCHEMBL12001566 0.80 TTBK1 (0.35) MAP3K14CDC7CDK2TTBK1PAK4
SCHEMBL12001522 0.80 TTBK1 (0.35) MAP3K14CDC7CDK2TTBK1PAK4
SCHEMBL11970923 0.79 MAP3K14 (0.48) MAP3K14CDC7CDK2TTBK1ROCK1
SCHEMBL11970600 0.78 MAP3K14 (0.47) MAP3K14CDC7CDK2TTBK1ROCK1
SCHEMBL12490347 0.78 MAP3K14 (0.43) MAP3K14CDC7CDK2TTBK1ROCK1
SCHEMBL11970988 0.77 MAP3K14 (0.44) MAP3K14TTBK1PAK4PIKFYVETTBK2
SCHEMBL11970547 0.77 MAP3K14 (0.44) MAP3K14TTBK1PAK4PIKFYVETTBK2
SCHEMBL11970740 0.77 MAP3K14 (0.48) MAP3K14CDC7CDK2TTBK1ROCK1

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

“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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