SCHEMBL19174100

SCHEMBL19174100

CN1CCCC(C#Cc2cccc(-c3cc(N4CCCC4=O)cc(C(N)=O)n3)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 13/20 0.44
▸ PKD1 P98161 1/20 0.44
▸ SCN9A Q15858 3/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAMK1D Q8IU85 1/20 0.34
▸ SYK P43405 2/20 0.34

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
SCHEMBL19173883 0.83 MAP3K14 (0.45) MAP3K14PKD1SCN9A
SCHEMBL19173576 0.80 MAP3K14 (0.46) MAP3K14PKD1
SCHEMBL16505970 0.80 MAP3K14 (0.72) MAP3K14PKD1
SCHEMBL19173898 0.79 MAP3K14 (0.49) MAP3K14PKD1
SCHEMBL19174039 0.79 MAP3K14 (0.49) MAP3K14PKD1SCN9A
SCHEMBL16522768 0.78 MAP3K14 (0.61) MAP3K14PKD1
SCHEMBL19173916 0.75 MAP3K14 (0.41) MAP3K14
SCHEMBL23870034 0.71 MAP3K14 (0.37) MAP3K14
SCHEMBL22744185 0.71 MAP3K14 (0.37) MAP3K14
SCHEMBL19173854 0.70 MAP3K14 (0.42) 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-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 553/4885PKD1 2437/4885SCN9A 1177/4885

“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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