SCHEMBL25260579

SCHEMBL25260579

Cc1cc(CC(=O)c2cccc(C#N)c2)c(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.51
▸ GRM5 P41594 1/20 0.45
▸ VNN1 O95497 12/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL30460566 1.00 GSK3B (0.51) GSK3BGRM5VNN1ALDH1A1HPGD
SCHEMBL30460379 0.85 GSK3B (0.54) GSK3BGRM5VNN1BRAF
SCHEMBL25311461 0.85 GSK3B (0.54) GSK3BGRM5VNN1BRAF
SCHEMBL30460446 0.82 GSK3B (0.51) GSK3BGRM5VNN1BRAF
SCHEMBL25261381 0.82 GSK3B (0.51) GSK3BGRM5VNN1BRAF
SCHEMBL25310631 0.79 GSK3B (0.52) GSK3BGRM5VNN1MRGPRX4
SCHEMBL4110824 0.79 GSK3B (0.52) GSK3BGRM5VNN1ALDH1A1HPGD
SCHEMBL30460427 0.79 GSK3B (0.52) GSK3BGRM5VNN1MRGPRX4
SCHEMBL25310003 0.78 GSK3B (0.51) GSK3BGRM5VNN1
SCHEMBL30460404 0.78 GSK3B (0.51) GSK3BGRM5VNN1

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 3066/4885GRM5 1927/4885VNN1 4091/4885

“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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