SCHEMBL4828131

SCHEMBL4828131

Cc1cc(Nc2cccc(C(=O)NCCCN(C)C)c2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
NPC1 O15118 2/20 0.62
SRC P12931 1/20 0.54
NCF1 P14598 1/20 0.52
MAPT P10636 2/20 0.52
GUSB P08236 1/20 0.52
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAD52 P43351 1/20 0.48
PIK3CD O00329 1/20 0.47
CSNK2A1 P68400 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
OPRK1 P41145 1/20 0.46

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
SCHEMBL4824498 0.97 NPC1 (0.61) HTTNPC1SRCNCF1MAPT
SCHEMBL4832524 0.96 NPC1 (0.60) HTTNPC1SRCNCF1MAPT
SCHEMBL4632702 0.94 NPC1 (0.65) HTTNPC1SRCNCF1MAPT
SCHEMBL4832178 0.86 NPC1 (0.62) HTTNPC1MAPTGUSBKDM4E
SCHEMBL4633366 0.86 NPC1 (0.67) HTTNPC1MAPTGUSBKDM4E
SCHEMBL4828232 0.86 NPC1 (0.67) HTTNPC1MAPTGUSBKDM4E
SCHEMBL4826166 0.86 NPC1 (0.59) HTTNPC1MAPTGUSBKDM4E
SCHEMBL4830112 0.85 NPC1 (0.58) HTTNPC1NCF1MAPTGUSB
SCHEMBL4832169 0.85 NPC1 (0.60) HTTNPC1MAPTGUSBKDM4E
SCHEMBL5351482 0.85 NPC1 (0.60) HTTNPC1MAPTGUSBKDM4E

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-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-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 HTT 1829/4885NPC1 1830/4885SRC 3489/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTT 1829/4885NPC1 1830/4885SRC 3489/4885

“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.