SCHEMBL12001779

SCHEMBL12001779

CC(C)(O)c1ccc2nc(C3CC3)n(-c3ccnc(N)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 4/20 0.46
▸ TTBK1 Q5TCY1 8/20 0.41
▸ PAK4 O96013 2/20 0.41
▸ PRKD1 Q15139 2/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ BMI1 P35226 1/20 0.38
▸ DHFR P00374 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL12001480 0.86 PAK4 (0.41) MAP3K14TTBK1PAK4PRKD1CDC7
SCHEMBL11970796 0.83 PAK4 (0.61) MAP3K14TTBK1PAK4PRKD1PIKFYVE
SCHEMBL11970783 0.81 MAP3K14 (0.50) MAP3K14TTBK1PAK4CDC7CDK2
SCHEMBL12001441 0.78 MAP3K14 (0.59) MAP3K14TTBK1PAK4PRKD1CDC7
SCHEMBL12489655 0.78 MAP3K14 (0.41) MAP3K14TTBK1PAK4PRKD1CDC7
SCHEMBL12001575 0.78 MAP3K14 (0.44) MAP3K14TTBK1PAK4PRKD1CDC7
SCHEMBL11970997 0.77 PAK4 (0.62) MAP3K14PAK4PRKD1PIKFYVE
SCHEMBL12525986 0.75 MAP3K14 (0.63) MAP3K14ROCK1
SCHEMBL12001656 0.74 PAK4 (0.73) MAP3K14TTBK1PAK4PRKD1CDC7
SCHEMBL12001663 0.73 PAK4 (0.53) MAP3K14PAK4BMI1DHFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 519/4885TTBK1 915/4885PAK4 1856/4885

“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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