SCHEMBL25310174

SCHEMBL25310174

Cc1cncnc1CC(=O)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.50
▸ VNN1 O95497 10/20 0.47
▸ GRM5 P41594 7/20 0.43
▸ BTD P43251 1/20 0.42
▸ BRAF P15056 1/20 0.41

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
SCHEMBL30460418 1.00 GSK3B (0.50) GSK3BVNN1GRM5BTDBRAF
SCHEMBL30460446 0.79 GSK3B (0.51) GSK3BVNN1GRM5BRAF
SCHEMBL25261381 0.79 GSK3B (0.51) GSK3BVNN1GRM5BRAF
SCHEMBL25260579 0.77 GSK3B (0.51) GSK3BVNN1GRM5BRAF
SCHEMBL30460566 0.77 GSK3B (0.51) GSK3BVNN1GRM5BRAF
SCHEMBL25311461 0.76 GSK3B (0.54) GSK3BVNN1GRM5BRAF
SCHEMBL30460400 0.76 GSK3B (0.54) GSK3BVNN1GRM5BTD
SCHEMBL4113592 0.76 GSK3B (0.54) GSK3BVNN1GRM5BTD
SCHEMBL30460379 0.76 GSK3B (0.54) GSK3BVNN1GRM5BRAF
SCHEMBL4110824 0.75 GSK3B (0.52) GSK3BVNN1GRM5

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 4 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

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-20250101013-A1 FUNCTIONALIZED AMINOTHIAZOLES ADORA2B, RB1, ADORA3 GSK3B 3066/4885VNN1 4091/4885GRM5 1927/4885

“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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