SCHEMBL4852085

SCHEMBL4852085

Cc1cc(NC(N)=O)c2ccccc2n1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
GALR3 O60755 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
OPRK1 P41145 1/20 0.60
IGF1R P08069 2/20 0.60
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
GUSB P08236 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.54
NCF1 P14598 1/20 0.53
CYP1A2 P05177 1/20 0.51

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
SCHEMBL4855474 0.89 HTT (0.75) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL5053541 0.87 HTT (0.73) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL6780760 0.84 HTT (0.72) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL8402836 0.83 HTT (0.75) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL8101445 0.83 HTT (0.68) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL6586520 0.83 IGF1R (0.79) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL4872495 0.82 HTT (0.73) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL19308467 0.82 HTT (0.73) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL13609778 0.82 HTT (0.66) HTTMEN1KMT2AGALR3RAB9A
SCHEMBL6586139 0.82 HTT (0.66) HTTMEN1KMT2AGALR3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039930-B 1-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea as crystalline sulfate salt ACTELION PHARMACEUTICALS LTD 2010-08-11 CN claimed
CN-101039930-A 1-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea as crystalline sulfate salt ACTELION PHARMACEUTICALS LTD (CH) 2007-09-19 CN claimed
EP-0630373-A1 INDOLE DERIVATIVES AS 5HT1C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP claimed
CN-101039930-B 1-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea as crystalline sulfate salt ACTELION PHARMACEUTICALS LTD 2010-08-11 CN disclosed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
CN-101039930-A 1-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea as crystalline sulfate salt ACTELION PHARMACEUTICALS LTD (CH) 2007-09-19 CN disclosed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 US disclosed
CN-1681789-A 1-pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2005-10-12 CN disclosed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN 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 (2 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 HTT 681/4885MEN1 2285/4885KMT2A 2523/4885
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN HTT 1465/4885MEN1 871/4885KMT2A 3136/4885

“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.