SCHEMBL18888221

SCHEMBL18888221

CN(CCC#Cc1cccc(-c2nc(C(N)=O)c3n2CCC3)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 7/20 0.57
▸ GAA P10253 1/20 0.43
▸ TP53 P04637 7/20 0.41
▸ THRB P10828 4/20 0.38
▸ RORC P51449 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BLM P54132 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
SCHEMBL18883237 0.73 MAP3K14 (0.81) MAP3K14
SCHEMBL16532275 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL16517638 0.71 MAP3K14 (1.00) MAP3K14
SCHEMBL18673438 0.70 MAP3K14 (0.57) MAP3K14
SCHEMBL18673437 0.70 MAP3K14 (0.57) MAP3K14
SCHEMBL16516618 0.69 GAA (0.56) MAP3K14GAATP53THRBRORC
SCHEMBL18673379 0.67 MAP3K14 (0.58) MAP3K14
SCHEMBL18673403 0.64 MAP3K14 (0.60) MAP3K14RORC
SCHEMBL15247925 0.64 CNR2 (0.61) MAP3K14GAATP53THRBLMNA
SCHEMBL16516815 0.62 GAA (0.57) MAP3K14GAATP53THRBRORC

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 514/4885GAA 1695/4885TP53 2153/4885

“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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