SCHEMBL4832220

SCHEMBL4832220

Cc1ccc(Nc2ccnc3ccccc23)cc1OCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.53
GAK O14976 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
NR4A2 P43354 1/20 0.52
HTT P42858 1/20 0.49
EGFR P00533 2/20 0.47
FADS1 O60427 1/20 0.47
ERBB2 P04626 1/20 0.47
KDR P35968 4/20 0.44
DNMT1 P26358 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MITF O75030 1/20 0.43
RAD52 P43351 1/20 0.43
MAP4K4 O95819 1/20 0.42
TGFBR1 P36897 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL4632672 0.86 NCF1 (0.54) HTTADRA2AADRA2BADRA2C
SCHEMBL15191460 0.82 HTT (0.51) RIPK2GAKCOQ8ANLKNR4A2
SCHEMBL4828221 0.76 NR4A2 (0.73) GAKNR4A2HRH3RAD52ADRA2C
SCHEMBL4832245 0.75 NCF1 (0.52) HTTADRA2AADRA2BADRA2C
SCHEMBL23496992 0.75 RIPK2 (0.68) RIPK2GAKCOQ8ANLKHTT
SCHEMBL30719618 0.75 RIPK2 (0.68) RIPK2GAKCOQ8ANLKHTT
SCHEMBL4834020 0.73 NCF1 (0.52) NR4A2HTTEGFRADRA2AADRA2B
SCHEMBL4829985 0.72 GAK (0.57) RIPK2GAKCOQ8ANLKNR4A2
SCHEMBL15191448 0.72 HTT (0.59) RIPK2GAKCOQ8ANLKHTT
SCHEMBL30307426 0.72 FADS1 (0.60) RIPK2GAKCOQ8ANLKHTT

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 RIPK2 1307/4885GAK 2544/4885COQ8A 546/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 RIPK2 1307/4885GAK 2544/4885COQ8A 546/4885

“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.