SCHEMBL12001801

SCHEMBL12001801

Cc1nc([C@](C)(O)c2ccc3c(C(=O)N4CCC(F)CC4)nn(-c4nc(N)ncc4Cl)c3c2)no1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.33
▸ CNR2 P34972 12/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ RORC P51449 2/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ CNR1 P21554 2/20 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
SCHEMBL12001731 0.92 MAP3K14 (0.34) MAP3K14CNR2
SCHEMBL12001608 0.90 MAP3K14 (0.34) MAP3K14CNR2RORC
SCHEMBL11970731 0.87 MAP3K14 (0.46) MAP3K14
SCHEMBL12001646 0.86 MAP3K14 (0.37) MAP3K14CNR2CNR1
SCHEMBL12001711 0.86 MAP3K14 (0.34) MAP3K14TRPV1
SCHEMBL12001528 0.81 MAP3K14 (0.31) MAP3K14
SCHEMBL11970812 0.79 MAP3K14 (0.48) MAP3K14
SCHEMBL12001472 0.79 TTBK1 (0.36) MAP3K14ALOX5AP
SCHEMBL11970643 0.77 MAP3K14 (0.47) MAP3K14
SCHEMBL11970530 0.73 MAP3K14 (0.48) MAP3K14

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 519/4885CNR2 749/4885TRPV1 2049/4885

“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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