SCHEMBL12001656

SCHEMBL12001656

COCCNc1nc2ccc(C(C)(C)O)cc2n1-c1ccnc(N)n1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 5/20 0.73
▸ PAK1 Q13153 2/20 0.61
▸ PAK2 Q13177 1/20 0.61
▸ PKN1 Q16512 1/20 0.61
▸ PAK6 Q9NQU5 1/20 0.61
▸ PAK5 Q9P286 1/20 0.61
▸ MAP3K14 Q99558 5/20 0.41
▸ PRKD1 Q15139 2/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ TTBK1 Q5TCY1 4/20 0.35
▸ NUDT1 P36639 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ ROCK1 Q13464 3/20 0.34
▸ TTBK2 Q6IQ55 1/20 0.33

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
SCHEMBL12001808 0.86 PAK4 (0.63) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001432 0.86 PAK4 (0.62) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11970925 0.84 PAK4 (1.00) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11970750 0.84 PAK4 (0.67) PAK4PAK1PAK2PKN1PAK6
SCHEMBL27947246 0.83 PAK4 (0.77) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001859 0.79 PAK4 (0.72) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11970826 0.78 PAK4 (0.77) PAK4PAK1PAK2PKN1PAK6
SCHEMBL12001441 0.78 MAP3K14 (0.59) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11971027 0.77 PAK4 (0.76) PAK4PAK1PAK2PKN1PAK6
SCHEMBL11971116 0.76 PAK4 (1.00) PAK4PAK1PAK2PKN1PAK6

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 PAK4 1856/4885PAK1 1017/4885PAK2 2155/4885

“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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