SCHEMBL18888203

SCHEMBL18888203

COC(=O)c1nn(-c2cc(Cl)cc(C#CC3CCCN(C)C3=O)c2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 18/20 0.54
▸ PKD1 P98161 2/20 0.45
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18673383 1.00 MAP3K14 (0.54) MAP3K14PKD1MEN1KMT2A
SCHEMBL18673456 0.90 MAP3K14 (0.67) MAP3K14PKD1
SCHEMBL16532371 0.81 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL18673457 0.78 MAP3K14 (0.59) MAP3K14PKD1
SCHEMBL16532694 0.75 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL16532432 0.74 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532501 0.74 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532372 0.73 MAP3K14 (0.44) MAP3K14MEN1KMT2A
SCHEMBL16532531 0.73 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532587 0.72 MAP3K14 (0.69) MAP3K14PKD1

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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885PKD1 2902/4885MEN1 3218/4885

“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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