SCHEMBL4498676

SCHEMBL4498676

Nc1ccc2[nH]nc(Nc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.56
GRM4 Q14833 6/20 0.56
FADS1 O60427 7/20 0.54
NTRK1 P04629 3/20 0.46
EPAS1 Q99814 1/20 0.42
TRPA1 O75762 2/20 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
SCHEMBL4514088 0.88 GSK3B (0.56) GSK3BGRM4FADS1TRPA1
SCHEMBL4507100 0.87 FADS1 (0.72) GSK3BGRM4FADS1TRPA1
SCHEMBL13789198 0.81 GSK3B (0.59) GSK3BGRM4FADS1TRPA1
SCHEMBL4738081 0.80 FADS1 (0.64) GRM4FADS1NTRK1TRPA1
SCHEMBL11701839 0.77 GSK3B (0.66) GSK3BFADS1NTRK1
SCHEMBL4782909 0.76 FADS1 (0.80) GSK3BGRM4FADS1TRPA1
SCHEMBL4007120 0.76 GSK3B (0.69) GSK3BGRM4FADS1NTRK1
SCHEMBL4743301 0.74 FADS1 (0.72) GSK3BGRM4FADS1TRPA1
SCHEMBL7571499 0.73 GSK3B (0.51) GSK3B
SCHEMBL29644051 0.73 GSK3B (0.51) GSK3B

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-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US claimed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed
JP-2007516173-A 2007-06-21 JP claimed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US claimed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP claimed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO claimed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 US disclosed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP disclosed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 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-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT GSK3B 104/4885GRM4 1791/4885FADS1 3211/4885

“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.