SCHEMBL30897451

SCHEMBL30897451

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CCO)c3)sc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ IKBKE Q14164 8/20 0.36
▸ TBK1 Q9UHD2 8/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ MET P08581 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ NAMPT P43490 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
SCHEMBL24577321 1.00 WNT1 (0.38) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759445 0.95 CHRM1 (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24576881 0.95 CHRM1 (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL30897463 0.94 IKBKE (0.40) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24576877 0.94 IKBKE (0.40) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24577273 0.93 WNT1 (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL30566564 0.93 WNT1 (0.36) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL24579029 0.93 IKBKE (0.38) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759715 0.93 IKBKE (0.38) WNT1GSK3BDYRK1AIKBKETBK1
SCHEMBL29759476 0.93 GSK3B (0.45) WNT1GSK3BDYRK1AIKBKETBK1

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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