SCHEMBL12001516

SCHEMBL12001516

Cc1nc([C@](C)(O)c2ccc3c(C(C)(C)F)nn(-c4ccnc(N)n4)c3c2)no1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ TTBK1 Q5TCY1 9/20 0.36
▸ PAK4 O96013 1/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ MAP3K14 Q99558 2/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL12001596 0.93 TTBK1 (0.38) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001572 0.89 TTBK1 (0.39) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001709 0.87 TTBK1 (0.38) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001606 0.86 TTBK1 (0.38) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001723 0.85 MAP3K14 (0.39) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL11970721 0.84 PAK4 (0.47) TTBK1PAK4PIKFYVEMAP3K14
SCHEMBL12001522 0.83 TTBK1 (0.35) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001566 0.83 TTBK1 (0.35) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001714 0.83 MAP3K14 (0.37) CDC7CDK2TTBK1PAK4PIKFYVE
SCHEMBL12001730 0.81 TTBK1 (0.36) CDC7CDK2TTBK1PAK4PIKFYVE

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 CDC7 4283/4885CDK2 2025/4885TTBK1 915/4885

“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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