SCHEMBL19174132

SCHEMBL19174132

CCCCNc1ncc(-c2cc(C#C[C@]3(O)CCN(C)C3=O)ccc2F)nc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.60

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
SCHEMBL16505118 0.91 MAP3K14 (0.59) MAP3K14
SCHEMBL16505595 0.84 MAP3K14 (0.53) MAP3K14
SCHEMBL16505591 0.84 MAP3K14 (0.67) MAP3K14
SCHEMBL16505710 0.84 MAP3K14 (0.52) MAP3K14
SCHEMBL16522757 0.83 MAP3K14 (0.49) MAP3K14
SCHEMBL16506571 0.79 MAP3K14 (0.72) MAP3K14
SCHEMBL16506572 0.79 MAP3K14 (0.72) MAP3K14
SCHEMBL16505810 0.79 MAP3K14 (0.59) MAP3K14
SCHEMBL16505583 0.79 MAP3K14 (0.59) MAP3K14
SCHEMBL16505453 0.77 MAP3K14 (0.68) 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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — 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-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA MAP3K14 553/4885

“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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