SCHEMBL12001582

SCHEMBL12001582

Cc1csc(C(C)(O)c2ccc3c(C)nn(-c4ccnc(N)n4)c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 13/20 0.41
▸ PAK4 O96013 1/20 0.37
▸ PIKFYVE Q9Y2I7 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAP3K14 Q99558 3/20 0.35
▸ TTBK2 Q6IQ55 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL12001452 0.87 MAP3K14 (0.42) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001425 0.87 MAP3K14 (0.42) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001568 0.87 MAP3K14 (0.42) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001595 0.84 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001676 0.84 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001458 0.83 TTBK1 (0.40) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12001823 0.82 TTBK1 (0.41) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL11970864 0.82 PAK4 (0.51) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001589 0.82 TTBK1 (0.39) TTBK1PAK4PIKFYVECDC7CDK2
SCHEMBL12523637 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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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