SCHEMBL4860253

SCHEMBL4860253

CN(C)c1cc(NC(N)=O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PEPD P12955 1/20 0.39
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
KIF11 P52732 1/20 0.39
NR3C2 P08235 3/20 0.38
NPC1 O15118 1/20 0.38
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PRKCI P41743 2/20 0.37

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
SCHEMBL4853772 0.84 MAPT (0.43) MAPTHSD17B10GRM5ALDH1A1NR3C2
SCHEMBL4863259 0.81 S1PR1 (0.48) MAPTHSD17B10ALDH1A1NR3C2PRKCI
SCHEMBL4851904 0.79 NR3C2 (0.47) MAPTNR3C2
SCHEMBL15880595 0.77 SMARCA2 (0.61) MAPTHSD17B10GRM5SMARCA2SMARCA4
SCHEMBL4864053 0.77 MAPT (0.37) MAPTHSD17B10ALDH1A1PEPDSMARCA2
SCHEMBL4701803 0.75 NR3C2 (0.55) NR3C2
SCHEMBL3516803 0.75 TYK2 (0.66)
SCHEMBL20057529 0.75 TRPV1 (0.51) MAPTHSD17B10ALDH1A1PEPDKIF11
SCHEMBL4861552 0.75 TYK2 (0.58) MAPTHSD17B10NR3C2
SCHEMBL883796 0.74 EED (0.37) HSD17B10GRM5ALDH1A1KDM4ETP53

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-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US 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

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 MAPT 941/4885HSD17B10 4799/4885GRM5 509/4885

“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.