SCHEMBL12001509

SCHEMBL12001509

CCOc1nc2ccc(C(C)(O)c3cc(C)on3)cc2n1-c1ccnc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 7/20 0.57
▸ PRKD1 Q15139 2/20 0.57
▸ PAK4 O96013 5/20 0.41
▸ CDC7 O00311 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ TTBK1 Q5TCY1 8/20 0.34
▸ TTBK2 Q6IQ55 2/20 0.34
▸ PAK1 Q13153 1/20 0.32
▸ PAK2 Q13177 1/20 0.32
▸ PKN1 Q16512 1/20 0.32
▸ PAK6 Q9NQU5 1/20 0.32
▸ PAK5 Q9P286 1/20 0.32
▸ KLKB1 P03952 1/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL12001579 0.91 MAP3K14 (0.48) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001798 0.91 MAP3K14 (0.47) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001718 0.91 MAP3K14 (0.47) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001569 0.90 MAP3K14 (0.51) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001580 0.88 MAP3K14 (0.45) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001630 0.86 MAP3K14 (0.42) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001607 0.84 MAP3K14 (0.42) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL11970569 0.84 MAP3K14 (0.75) MAP3K14PRKD1PAK4PAK1PAK2
SCHEMBL12001441 0.84 MAP3K14 (0.59) MAP3K14PRKD1PAK4CDC7CDK2
SCHEMBL12001625 0.84 MAP3K14 (0.42) MAP3K14PRKD1PAK4PAK1PAK2

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 MAP3K14 519/4885PRKD1 1505/4885PAK4 1856/4885

“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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