SCHEMBL4828221

SCHEMBL4828221

CN(C)CCOc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.73
GAK O14976 1/20 0.56
FERMT2 Q96AC1 1/20 0.55
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
CYP2D6 P10635 9/20 0.53
CYP1A2 P05177 8/20 0.53
KCNH2 Q12809 6/20 0.53
APP P05067 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
ABCB11 O95342 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A2 P23975 1/20 0.53
PTGS2 P35354 1/20 0.53
OPRM1 P35372 1/20 0.53

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
SCHEMBL4829985 0.87 GAK (0.57) NR4A2GAKFERMT2CYP2D6CYP1A2
SCHEMBL5123308 0.78 GAK (0.55) NR4A2GAKFERMT2GAAMAPT
SCHEMBL21121463 0.77 GAK (0.67) NR4A2GAKGAAMAPTATM
SCHEMBL33377222 0.77 GAK (0.67) NR4A2GAKGAAMAPTATM
SCHEMBL21121575 0.77 GAK (0.77) NR4A2GAKGAAMAPTATM
SCHEMBL4824720 0.77 UTS2R (0.58) NR4A2GAK
SCHEMBL4832220 0.76 RIPK2 (0.53) NR4A2GAKHRH3ADRA2CRAD52
SCHEMBL4832245 0.76 NCF1 (0.52) GAAMAPTADRA2CPOLB
SCHEMBL29205312 0.75 NR4A2 (0.59) NR4A2GAKFERMT2GAAMAPT
SCHEMBL10762102 0.75 CYP2D6 (0.80) NR4A2GAKFERMT2GAAMAPT

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
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NR4A2 388/4885GAK 2544/4885FERMT2 959/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NR4A2 388/4885GAK 2544/4885FERMT2 959/4885

“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.