SCHEMBL12001632

SCHEMBL12001632

Cn1ccc(C(C)(O)c2ccc3c(C(C)(C)O)nn(-c4ccnc(N)n4)c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 16/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ PIKFYVE Q9Y2I7 1/20 0.39
▸ CDC7 O00311 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ TTBK2 Q6IQ55 2/20 0.35
▸ MAP3K14 Q99558 2/20 0.35
▸ 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
SCHEMBL12001531 0.85 TTBK1 (0.39) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001477 0.84 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001578 0.83 TTBK1 (0.38) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL11970946 0.83 PAK4 (0.52) TTBK1PAK4PIKFYVETTBK2MAP3K14
SCHEMBL12001596 0.79 TTBK1 (0.38) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL11971028 0.78 TTBK1 (0.44) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL11970923 0.78 MAP3K14 (0.48) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001676 0.76 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001811 0.74 TTBK1 (0.43) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001823 0.74 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2

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 915/4885PAK4 1856/4885PIKFYVE 3647/4885

“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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