SCHEMBL18673449

SCHEMBL18673449

CCCC(=O)N(C)Cc1ccc2c(c1)c(C(N)=O)nn2-c1cc(C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 10/20 0.62
▸ SCN9A Q15858 1/20 0.34
▸ FFAR4 Q5NUL3 4/20 0.33
▸ SMO Q99835 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ELANE P08246 1/20 0.32

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
SCHEMBL16532673 0.90 MAP3K14 (0.61) MAP3K14SCN9AFFAR4SMO
SCHEMBL16547238 0.85 MAP3K14 (0.57) MAP3K14SCN9AFFAR4SMO
SCHEMBL18673546 0.83 MAP3K14 (0.44) MAP3K14SCN9AFFAR4ELANE
SCHEMBL18673361 0.83 MAP3K14 (0.43) MAP3K14SCN9AFFAR4ELANE
SCHEMBL18888035 0.82 MAP3K14 (0.43) MAP3K14SCN9AFFAR4ELANE
SCHEMBL16516941 0.80 MAP3K14 (0.52) MAP3K14SCN9AFFAR4
SCHEMBL18673472 0.79 MAP3K14 (0.42) MAP3K14SCN9AELANE
SCHEMBL16547159 0.78 MAP3K14 (0.85) MAP3K14
SCHEMBL16534276 0.78 MAP3K14 (1.00) MAP3K14
SCHEMBL16516848 0.78 MAP3K14 (1.00) 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 2 patents. 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
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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 514/4885SCN9A 760/4885FFAR4 540/4885

“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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