SCHEMBL11970925

SCHEMBL11970925

COCCNc1nc2ccc(C#CC(C)(C)O)cc2n1-c1ccnc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 10/20 1.00
▸ PAK1 Q13153 3/20 0.70
▸ PKN1 Q16512 2/20 0.70
▸ PAK2 Q13177 1/20 0.70
▸ PAK6 Q9NQU5 1/20 0.70
▸ PAK5 Q9P286 1/20 0.70
▸ PIKFYVE Q9Y2I7 3/20 0.52
▸ MAP3K14 Q99558 3/20 0.51
▸ PRKD1 Q15139 2/20 0.51
▸ TTBK1 Q5TCY1 7/20 0.45

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
SCHEMBL11970826 0.87 PAK4 (0.77) PAK4PAK1PKN1PAK2PAK6
SCHEMBL27947246 0.87 PAK4 (0.77) PAK4PAK1PKN1PAK2PAK6
SCHEMBL11971027 0.87 PAK4 (0.76) PAK4PAK1PKN1PAK2PAK6
SCHEMBL12001656 0.84 PAK4 (0.73) PAK4PAK1PKN1PAK2PAK6
SCHEMBL11971116 0.82 PAK4 (1.00) PAK4PAK1PKN1PAK2PAK6
SCHEMBL12490008 0.82 PAK4 (0.72) PAK4PAK1PKN1PAK2PAK6
SCHEMBL11970750 0.80 PAK4 (0.67) PAK4PAK1PKN1PAK2PAK6
SCHEMBL11970735 0.80 MAP3K14 (0.74) PAK4PAK1PKN1PAK2PAK6
SCHEMBL12001808 0.77 PAK4 (0.63) PAK4PAK1PKN1PAK2PAK6
SCHEMBL12001432 0.77 PAK4 (0.62) PAK4PAK1PKN1PAK2PAK6

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 7 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-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
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 1856/4885PAK1 1017/4885PKN1 1987/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA PAK4 1856/4885PAK1 1017/4885PKN1 1987/4885

“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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