SCHEMBL4113592

SCHEMBL4113592

N#Cc1cccc(C(=O)Cc2ccncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.54
▸ VNN1 O95497 11/20 0.46
▸ GRM5 P41594 3/20 0.44
▸ ELANE P08246 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ BTD P43251 1/20 0.39

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
SCHEMBL30460400 1.00 GSK3B (0.54) GSK3BVNN1GRM5ELANEHSD17B10
SCHEMBL1847397 0.81 GSK3B (0.59) GSK3BVNN1GRM5HSD17B10
SCHEMBL30460451 0.81 GSK3B (0.59) GSK3BVNN1GRM5HSD17B10
SCHEMBL4110824 0.81 GSK3B (0.52) GSK3BVNN1GRM5ELANE
SCHEMBL27517630 0.80 NT5E (0.47) GSK3BVNN1ELANE
SCHEMBL4051434 0.80 RAB9A (0.48) GSK3B
SCHEMBL310975 0.80 GSK3B (0.51) GSK3BVNN1GRM5ELANECLK4
SCHEMBL29130629 0.78 PLOD2 (0.53) GSK3B
SCHEMBL29986565 0.78 PLOD2 (0.53) GSK3B
SCHEMBL25310174 0.76 GSK3B (0.50) GSK3BVNN1GRM5BTD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101013-A1 FUNCTIONALIZED AMINOTHIAZOLES LEADXPRO AG (CH) 2025-03-27 — — US disclosed
EP-4466267-A1 FUNCTIONALIZED AMINOTHIAZOLES LeadXpro AG (CH) 2024-11-27 — — EP disclosed
WO-2023139132-A1 FUNCTIONALIZED AMINOTHIAZOLES LEADXPRO AG (CH) 2023-07-27 — — WO disclosed
WO-2023139132-A1 FUNCTIONALIZED AMINOTHIAZOLES LEADXPRO AG (CH) 2023-07-27 — — WO disclosed
US-20090233938-A1 Thiazole derivatives as a2b antagonists NOVARTIS AG (CH) 2009-09-17 — — US disclosed
EP-1709036-B1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2008-03-05 — — EP disclosed
EP-1709036-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS Novartis AG (CH) 2006-10-11 — — EP disclosed
WO-2005070926-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2005-08-04 — — 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-20250101013-A1 FUNCTIONALIZED AMINOTHIAZOLES ADORA2B, RB1, ADORA3 GSK3B 3066/4885VNN1 4091/4885GRM5 1927/4885
US-20090233938-A1 Thiazole derivatives as a2b antagonists ADORA2B, ADRA2B, AGTR2 GSK3B 4388/4885VNN1 1743/4885GRM5 1915/4885

“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.

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