SCHEMBL12001548

SCHEMBL12001548

CN(C(=O)c1nn(-c2ccnc(N)n2)c2cc(C(C)(O)c3ncccn3)ccc12)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.37
▸ TTBK1 Q5TCY1 6/20 0.35
▸ MAP3K14 Q99558 2/20 0.34
▸ PAK4 O96013 1/20 0.33
▸ PIKFYVE Q9Y2I7 1/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ FFAR4 Q5NUL3 4/20 0.33
▸ POLQ O75417 1/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ TTBK2 Q6IQ55 1/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL12001719 0.90 TTBK1 (0.38) TTBK1MAP3K14PAK4PIKFYVEFFAR4
SCHEMBL11970637 0.85 MAP3K14 (0.47) ALOX5APTTBK1MAP3K14PAK4PIKFYVE
SCHEMBL12001702 0.85 TTBK1 (0.39) TTBK1MAP3K14PAK4PIKFYVEFFAR4
SCHEMBL11970918 0.84 ALOX5AP (0.36) ALOX5APTTBK1PRMT5FFAR4ROCK1
SCHEMBL12001561 0.83 ROCK1 (0.36) TTBK1MAP3K14PAK4PIKFYVEFFAR4
SCHEMBL12525143 0.82 ALOX5AP (0.35) ALOX5APTTBK1PRMT5FFAR4ROCK1
SCHEMBL12001615 0.79 TTBK1 (0.40) TTBK1MAP3K14PAK4PIKFYVETTBK2
SCHEMBL12001643 0.79 HRH4 (0.38) TTBK1MAP3K14PAK4PIKFYVEROCK1
SCHEMBL12001492 0.79 TTBK1 (0.35) TTBK1MAP3K14PAK4PIKFYVEFFAR4
SCHEMBL12525048 0.79 TTBK1 (0.35) TTBK1MAP3K14PAK4PIKFYVEFFAR4

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 ALOX5AP 122/4885TTBK1 915/4885MAP3K14 519/4885

“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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