SCHEMBL5418372

SCHEMBL5418372

O=C(O)c1c(CN2CCNCC2=O)c(-c2ccccc2)nc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.56
DHFR P00374 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL5435657 0.88 TACR3 (0.49) DHODHPDE10A
SCHEMBL5417753 0.85 DHODH (0.61) DHODHDHFRALKBH5
SCHEMBL5428940 0.81 DHODH (0.56) DHODHDHFRALKBH5
SCHEMBL6359354 0.81 DHODH (0.49) DHODHDHFRALKBH5
SCHEMBL5426585 0.80 ALDH1A1 (0.40) DHODH
SCHEMBL5454432 0.77 DHODH (0.54) DHODHDHFRALKBH5PDE10A
SCHEMBL5422409 0.77 DHODH (0.53) DHODHDHFRALKBH5PDE10A
SCHEMBL5452376 0.76 MEN1 (0.39) DHODHPDE10A
SCHEMBL5418351 0.76 DHODH (0.60) DHODHDHFRALKBH5PDE10A
SCHEMBL5937381 0.76 DHODH (0.52) DHODHDHFRALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US claimed
EP-1385839-B1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2006-02-22 EP claimed
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US disclosed
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GLAXOSMITHKLINE S.P.A. (IT) 2006-10-12 US disclosed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP disclosed
EP-1385839-B1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2006-02-22 EP disclosed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US disclosed
EP-1385839-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-02-04 EP disclosed
WO-2002083664-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO 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 (3 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-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 DHODH 1250/4885DHFR 2633/4885ALKBH5 1572/4885
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS KCNK3, KCNJ2, KCNK2 DHODH 2467/4885DHFR 2274/4885ALKBH5 3714/4885
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists KCNK3, KCNJ2, KCNK2 DHODH 2467/4885DHFR 2274/4885ALKBH5 3714/4885

“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.