SCHEMBL4829985

SCHEMBL4829985

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 4/20 0.57
NR4A2 P43354 1/20 0.56
RIPK2 O43353 2/20 0.49
EPHB6 O15197 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
EPHA1 P21709 1/20 0.49
EPHA8 P29322 1/20 0.49
TXK P42681 1/20 0.49
COQ8A Q8NI60 1/20 0.49
NLK Q9UBE8 1/20 0.49
UTS2R Q9UKP6 3/20 0.48
CYP1A2 P05177 2/20 0.43
CYP2C8 P10632 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
EGFR P00533 3/20 0.42
KDR P35968 1/20 0.41
FERMT2 Q96AC1 1/20 0.41

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
SCHEMBL4828221 0.87 NR4A2 (0.73) GAKNR4A2CYP1A2CYP2C8CYP2D6
SCHEMBL4824720 0.81 UTS2R (0.58) GAKNR4A2UTS2REGFRKDR
SCHEMBL5129444 0.81 GAK (0.57) GAKRIPK2EPHB6ABL1LCK
SCHEMBL4832245 0.74 NCF1 (0.52) UTS2R
SCHEMBL8541628 0.73 FERMT2 (0.57) GAKCYP1A2KDRFERMT2
SCHEMBL29089850 0.73 GAK (0.65) GAKRIPK2EPHB6ABL1LCK
SCHEMBL28845692 0.72 FADS1 (0.66) GAKNR4A2RIPK2EPHB6ABL1
SCHEMBL4832220 0.72 RIPK2 (0.53) GAKNR4A2RIPK2COQ8ANLK
SCHEMBL7249688 0.71 UTS2R (0.54) UTS2R
SCHEMBL29200468 0.71 GAK (0.61) GAKRIPK2EPHB6ABL1LCK

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 GAK 2544/4885NR4A2 388/4885RIPK2 1307/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 GAK 2544/4885NR4A2 388/4885RIPK2 1307/4885

“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.