SCHEMBL5486956

SCHEMBL5486956

O=C(O)c1c(Cn2nccn2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.58
PDE10A Q9Y233 4/20 0.58
LMNA P02545 3/20 0.58
TSHR P16473 1/20 0.57
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TACR2 P21452 2/20 0.47
TACR3 P29371 4/20 0.45
KCNH2 Q12809 3/20 0.45

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
SCHEMBL5475536 0.88 DHODH (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5476663 0.84 DHODH (0.53) DHODHPDE10ALMNATSHRPOLB
SCHEMBL8267472 0.80 LMNA (0.82) DHODHPDE10ALMNATSHRPOLB
SCHEMBL14492079 0.80 PDE10A (0.68) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6957665 0.80 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL1581252 0.80 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4245187 0.80 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6853012 0.79 TACR3 (0.64) DHODHPDE10ALMNATSHRPOLB
SCHEMBL5436914 0.79 DHODH (0.50) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6222134 0.78 TACR2 (0.55) DHODHPDE10ALMNATSHRPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US claimed
EP-1651632-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP claimed
WO-2005014575-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 WO claimed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
EP-1651632-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP disclosed
WO-2005014575-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 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 (1 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-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists TACR3, GRIK3, TACR2 DHODH 3942/4885PDE10A 2035/4885LMNA 2424/4885

“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.