SCHEMBL18673601

SCHEMBL18673601

Cc1cccc(-n2nc(C(N)=O)c3ccc(Cl)nc32)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 8/20 0.57
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ RIPK2 O43353 1/20 0.45
▸ GAA P10253 4/20 0.44
▸ RCE1 Q9Y256 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PKD1 P98161 1/20 0.40

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
SCHEMBL18673460 0.86 GAA (0.52) MAP3K14GAAELANEKDM4EHPGD
SCHEMBL16517030 0.86 MAP3K14 (0.55) MAP3K14CCNA2CDK2CCNA1GAA
SCHEMBL18883255 0.76 MAP3K14 (0.77) MAP3K14
SCHEMBL16517347 0.75 MAP3K14 (0.44) MAP3K14GAARCE1KDM4EHPGD
SCHEMBL16517354 0.75 MAP3K14 (0.44) MAP3K14GAAKDM4EHPGDALDH1A1
SCHEMBL30022821 0.75 GAA (0.56) CCNA2CDK2CCNA1RIPK2GAA
SCHEMBL16517054 0.74 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517051 0.74 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517591 0.74 MAP3K14 (0.44) MAP3K14GAAKDM4EHPGDNPSR1
SCHEMBL16517175 0.74 ELANE (0.44) MAP3K14GAAELANE

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 514/4885CCNA2 1980/4885CDK2 3164/4885

“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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