SCHEMBL11970516

SCHEMBL11970516

Nc1nccc(-n2c(OCC(O)CO)nc3ccc(Br)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 7/20 0.46
▸ CDC7 O00311 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ ROCK1 Q13464 3/20 0.41
▸ PRKD1 Q15139 2/20 0.41
▸ PAK4 O96013 2/20 0.36
▸ PAK1 Q13153 1/20 0.34
▸ PAK2 Q13177 1/20 0.34
▸ PKN1 Q16512 1/20 0.34
▸ PAK6 Q9NQU5 1/20 0.34
▸ PAK5 Q9P286 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL11970511 0.85 MAP3K14 (0.50) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL11970865 0.82 MAP3K14 (0.53) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL11970526 0.81 MAP3K14 (0.50) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL11970527 0.80 MAP3K14 (0.49) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL11970482 0.80 MAP3K14 (0.49) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL12001580 0.76 MAP3K14 (0.45) MAP3K14CDC7CDK2PRKD1PAK4
SCHEMBL11970532 0.75 MAP3K14 (0.43) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL16441075 0.74 MAP3K14 (0.55) MAP3K14PRKD1PAK4PAK1PAK2
SCHEMBL12489650 0.74 MAP3K14 (0.41) MAP3K14CDC7CDK2ROCK1PRKD1
SCHEMBL11970931 0.74 MAP3K14 (0.47) MAP3K14CDC7CDK2ROCK1PRKD1

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 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
EP-2686314-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP disclosed
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO 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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