SCHEMBL30897474

SCHEMBL30897474

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3ccnnc3C)sc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ATR Q13535 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL27184977 1.00 WNT1 (0.34) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL30897455 0.90 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL27185208 0.90 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL27185027 0.87 POLQ (0.37) WNT1GSK3BDYRK1AIRAK4
SCHEMBL29759896 0.87 POLQ (0.37) WNT1GSK3BDYRK1AIRAK4
SCHEMBL24579122 0.87 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL30897515 0.87 WNT1 (0.34) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29760123 0.87 WNT1 (0.37) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759698 0.87 WNT1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL27185083 0.87 WNT1 (0.34) WNT1GSK3BDYRK1ACHRM1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 — — US 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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 WNT1 2716/4885GSK3B 1914/4885DYRK1A 1429/4885

“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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