SCHEMBL3908668

SCHEMBL3908668

Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.71
PDE10A Q9Y233 4/20 0.71
LMNA P02545 2/20 0.71
TSHR P16473 1/20 0.69
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
TACR3 P29371 6/20 0.56
TACR2 P21452 1/20 0.56
POLB P06746 1/20 0.54
ADORA2A P29274 1/20 0.51
NUDT1 P36639 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
SCHEMBL8792622 0.97 DHODH (0.72) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL6826836 0.89 DHODH (0.73) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL8793224 0.89 DHODH (0.58) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL619836 0.88 DHODH (0.64) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL8794131 0.87 DHODH (0.76) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL4666226 0.85 DHODH (0.68) DHODHPDE10ALMNATSHRTACR3
SCHEMBL8792497 0.84 DHODH (0.60) DHODHPDE10ALMNATSHRTACR3
SCHEMBL24122754 0.83 LMNA (1.00) DHODHPDE10ALMNATSHRCYP2D6
Oxycinchophen SCHEMBL1170683 0.83 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6
Oxycinchophen SCHEMBL31654029 0.83 DHODH (1.00) DHODHPDE10ALMNATSHRCYP2D6

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US claimed
CN-101287723-A Amidoalkylpyridylquinolines as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-15 CN claimed
CN-101282964-A Oxopyridyl quinoline amides as NK3 receptor modulators ASTRAZENECA AB (SE) 2008-10-08 CN claimed
US-20080200504-A1 non-peptide NK-3 receptor ligands; anxiety, depression, schizophrenia, obesity; 2-Phenyl-quinoline-4-carboxylic acid (1-pyridin-4-yl-propyl) amide; reacting the 2-phenyl-quinolinyl-4-carbonyl chloride with a pyridylalkylamine to form the amide ASTRAZENECA AB (SE) 2008-08-21 US claimed
EP-1915362-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018465-A1 AMIDE ALKYL PYRIDIYL QUINOLINES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
EP-1776343-B1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-03-04 EP disclosed
EP-1776343-B1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-03-04 EP disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-20080312274-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists CARLING WILLIAM ROBERT 2008-12-18 US disclosed
WO-1997021680-A9 QUINOLINE DERIVATIVES 1997-09-12 WO disclosed
CN-1156451-A Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 1997-08-06 CN disclosed
WO-1997021680-A1 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-19 WO disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 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 (3 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-20080312274-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR2, TACR3, TACR1 DHODH 3577/4885PDE10A 2357/4885LMNA 3957/4885
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 DHODH 2547/4885PDE10A 2448/4885LMNA 3842/4885
US-20080200504-A1 non-peptide NK-3 receptor ligands; anxiety, depression, schizophrenia, obesity; 2-Phenyl-quinoline-4-carboxylic acid (1-pyridin-4-yl-propyl) amide; reacting the 2-phenyl-quinolinyl-4-carbonyl chloride with a pyridylalkylamine to form the amide NPY4R, PROKR1, NPSR1 DHODH 4351/4885PDE10A 3503/4885LMNA 2776/4885

“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.