SCHEMBL12001584

SCHEMBL12001584

CN(C)C(=O)c1nn(-c2ccnc(N)n2)c2cc(C(C)(O)c3nccs3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 7/20 0.38
▸ TTBK1 Q5TCY1 7/20 0.36
▸ PAK4 O96013 2/20 0.34
▸ PIKFYVE Q9Y2I7 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ NR1H2 P55055 1/20 0.30

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
SCHEMBL12001686 1.00 MAP3K14 (0.38) MAP3K14TTBK1PAK4PIKFYVEKCNH2
SCHEMBL12001615 0.87 TTBK1 (0.40) MAP3K14TTBK1PAK4PIKFYVETTBK2
SCHEMBL12001719 0.86 TTBK1 (0.38) MAP3K14TTBK1PAK4PIKFYVETTBK2
SCHEMBL12001568 0.84 MAP3K14 (0.42) MAP3K14TTBK1PAK4PIKFYVEKCNH2
SCHEMBL12001425 0.84 MAP3K14 (0.42) MAP3K14TTBK1PAK4PIKFYVEKCNH2
SCHEMBL12001452 0.84 MAP3K14 (0.42) MAP3K14TTBK1PAK4PIKFYVEKCNH2
SCHEMBL12001488 0.84 TTBK1 (0.36) MAP3K14TTBK1PAK4PIKFYVETTBK2
SCHEMBL11970420 0.84 PAK4 (0.49) MAP3K14PAK4PIKFYVEMAP4K4
SCHEMBL11970416 0.84 PAK4 (0.49) MAP3K14PAK4PIKFYVEMAP4K4
SCHEMBL12001714 0.82 MAP3K14 (0.37) MAP3K14TTBK1PAK4PIKFYVETTBK2

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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