SCHEMBL4863981

SCHEMBL4863981

O=C(O)CNC(=O)Nc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
PDPK1 O15530 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
CDK1 P06493 1/20 0.56
PIM1 P11309 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CDK2 P24941 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
CSNK1D P48730 1/20 0.56
CDK8 P49336 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
IRAK1 P51617 1/20 0.56
LIMK1 P53667 1/20 0.56
CSNK2A1 P68400 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
Hydrochloric Acid SCHEMBL4860155 0.99 PLK4 (0.55) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL27579461 0.85 PLK4 (0.73) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL1520512 0.82 HTR1A (0.65) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL29362282 0.82 HTR1A (0.65) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL4859948 0.82 ALDH1A1 (0.57) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL3807061 0.81 HTR2C (0.73) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL6397828 0.81 ALDH1A1 (0.56) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL7370108 0.80 PTPN1 (0.67) PLK4CHEK1PDPK1PRKD3MAP4K4
SCHEMBL14181484 0.78 HTT (0.63) HTR2CITGB3ITGB1ITGAVITGA5
Dimethylamine SCHEMBL7660199 0.77 HTR2C (0.72) PLK4CHEK1PDPK1PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP disclosed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 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 (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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR PLK4 3161/4885CHEK1 4302/4885PDPK1 2870/4885

“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.