SCHEMBL12001618

SCHEMBL12001618

CC(O)(c1ccc2nc(OCC(F)(F)F)n(-c3ccnc(N)n3)c2c1)c1ncccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 6/20 0.45
▸ PRKD1 Q15139 2/20 0.45
▸ CDC7 O00311 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ PAK4 O96013 2/20 0.41
▸ TTBK1 Q5TCY1 9/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ TTBK2 Q6IQ55 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PAK1 Q13153 1/20 0.33
▸ PAK2 Q13177 1/20 0.33
▸ PKN1 Q16512 1/20 0.33
▸ PAK6 Q9NQU5 1/20 0.33
▸ PAK5 Q9P286 1/20 0.33
▸ MAT2A P31153 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
SCHEMBL12001476 0.90 MAP3K14 (0.55) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001274 0.89 MAP3K14 (0.45) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001783 0.88 PAK4 (0.49) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001583 0.88 MAP3K14 (0.46) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001577 0.88 MAP3K14 (0.45) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001798 0.84 MAP3K14 (0.47) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL11970745 0.83 MAP3K14 (0.61) MAP3K14PRKD1PAK4TTBK1TTBK2
SCHEMBL12001486 0.81 MAP3K14 (0.42) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL11970482 0.79 MAP3K14 (0.49) MAP3K14PRKD1CDC7CDK2PAK4
SCHEMBL12001441 0.78 MAP3K14 (0.59) MAP3K14PRKD1CDC7CDK2PAK4

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 MAP3K14 519/4885PRKD1 1505/4885CDC7 4283/4885

“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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