SCHEMBL5202656

SCHEMBL5202656

Cc1c(-c2ccccc2)nc2cc3c(cc2c1C(=O)O)OCO3

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.63
TSHR P16473 1/20 0.63
DHODH Q02127 15/20 0.62
PTGFR P43088 2/20 0.52
DHFR P00374 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.51
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5202086 0.93 PDE10A (0.63) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL5200915 0.88 DHODH (0.62) PDE10ATSHRDHODHPTGFRNPC1
SCHEMBL2807617 0.84 PDE10A (0.77) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL18075791 0.83 PDE10A (0.75) PDE10ATSHRDHODHPTGFRDHFR
SCHEMBL2371903 0.79 DHODH (0.61) PDE10ATSHRDHODHPTGFR
SCHEMBL17593890 0.79 DHODH (0.72) PDE10ATSHRDHODHPTGFR
SCHEMBL5425219 0.79 DHODH (0.72) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL17594005 0.79 DHODH (0.94) PDE10ATSHRDHODHPTGFRDHFR
SCHEMBL14553153 0.78 DHODH (0.70) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL18075862 0.78 DHODH (0.70) PDE10ATSHRDHODHPTGFRDHFR

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
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2006-10-05 US disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-05-20 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
EP-1351953-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-10-15 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 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 (4 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-20060223819-A1 Quinoline Derivatives as NK-3 Antagonists KCNK3, KCNQ3, KCNN3 PDE10A 1613/4885TSHR 2938/4885DHODH 1163/4885
US-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN PDE10A 165/4885TSHR 4222/4885DHODH 902/4885
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists KCNK3, KCNQ3, KCNN3 PDE10A 1730/4885TSHR 2963/4885DHODH 1238/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN PDE10A 165/4885TSHR 4222/4885DHODH 902/4885

“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.