SCHEMBL12001493

SCHEMBL12001493

Cc1cc(C(C)(O)c2ccc3c(C)nn(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 9/20 0.39
▸ MAP3K14 Q99558 5/20 0.37
▸ PAK4 O96013 4/20 0.37
▸ PIKFYVE Q9Y2I7 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TTBK2 Q6IQ55 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL12001578 0.91 TTBK1 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001627 0.89 TTBK1 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001635 0.89 TTBK1 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12526051 0.88 MAP3K14 (0.44) TTBK1MAP3K14PAK4PIKFYVETTBK2
SCHEMBL12001600 0.88 TTBK1 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001593 0.87 TTBK1 (0.35) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001510 0.86 TTBK1 (0.35) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001599 0.86 MAP3K14 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001703 0.86 MAP3K14 (0.38) TTBK1MAP3K14PAK4PIKFYVECDC7
SCHEMBL12001602 0.85 TTBK1 (0.39) TTBK1MAP3K14PAK4PIKFYVECDC7

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 TTBK1 915/4885MAP3K14 519/4885PAK4 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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