SCHEMBL3116331

SCHEMBL3116331

CCNC(=O)c1ccc(C)c(-n2cnc3ccc(CN4CCS(=O)(=O)CC4)cc3c2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.66
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3116341 0.94 MAPK14 (0.67) MAPK14
SCHEMBL3113669 0.92 MAPK14 (0.75) MAPK14
SCHEMBL3108362 0.91 MAPK14 (0.66) MAPK14
SCHEMBL3113520 0.90 MAPK14 (0.53) MAPK14NPC1ALDH1A1RAB9A
SCHEMBL3109108 0.89 MAPK14 (0.52) MAPK14NPC1ALDH1A1RAB9A
SCHEMBL3108293 0.89 MAPK14 (0.64) MAPK14
SCHEMBL3118343 0.88 MAPK14 (0.63) MAPK14
SCHEMBL3111142 0.85 MAPK14 (0.64) MAPK14
SCHEMBL3114537 0.85 MAPK14 (0.62) MAPK14
SCHEMBL3113915 0.85 MAPK14 (0.62) MAPK14

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-20100256120-A1 AMIDE DERIVATIVES ASTRAZENECA AB 2010-10-07 US claimed
US-20100256120-A1 AMIDE DERIVATIVES ASTRAZENECA AB 2010-10-07 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-20100256120-A1 AMIDE DERIVATIVES IL1B, IL1A, IL6 MAPK14 2363/4885NPC1 791/4885ALDH1A1 161/4885

“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.