SCHEMBL17060481

SCHEMBL17060481

NNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.82
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
CA7 P43166 6/20 0.67
CA9 Q16790 6/20 0.67
PDK1 Q15118 1/20 0.64
TRPV1 Q8NER1 7/20 0.63
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
GRM4 Q14833 1/20 0.57
CASR P41180 1/20 0.56
CDK8 P49336 1/20 0.56

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
SCHEMBL29364392 0.90 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL118026 0.90 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL4548158 0.86 KDR (0.90) KDRCA1CA2CA7CA9
SCHEMBL3644352 0.86 KDR (0.84) KDRCA1CA2CA7CA9
SCHEMBL618575 0.85 KDR (0.82) KDRCA1CA2CA7CA9
Cloflucarban SCHEMBL27537485 0.84 KDR (0.88) KDRCA1CA2CA7CA9
SCHEMBL19677976 0.84 KDR (0.88) KDRCA1CA2CA7CA9
Cloflucarban SCHEMBL119821 0.84 KDR (0.88) KDRCA1CA2CA7CA9
SCHEMBL10220062 0.84 KDR (0.88) KDRCA1CA2CA7CA9
SCHEMBL12413876 0.84 KDR (0.82) KDRCA1CA2CA7CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915806-B1 QUINOLINE COMPOUND AND USE THEREOF UNIV SHENYANG PHARMACEUTICAL (CN) 2018-04-25 EP disclosed
US-9783499-B2 Quinoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2017-10-10 US disclosed
US-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-10-29 US disclosed
EP-2915806-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF Shenyang Pharmaceutical University (CN) 2015-09-09 EP 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-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS MET, RAF1, RET KDR 297/4885CA1 1815/4885CA2 534/4885

“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.