SCHEMBL30897463

SCHEMBL30897463

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC(C)(C)C5)cnc4C)c3s2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 7/20 0.40
▸ TBK1 Q9UHD2 7/20 0.40
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KAT5 Q92993 1/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ TYK2 P29597 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ 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
SCHEMBL24576877 1.00 IKBKE (0.40) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL29760101 0.95 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL24579082 0.95 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL29760069 0.94 IKBKE (0.40) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL30897451 0.94 WNT1 (0.38) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL24577321 0.94 WNT1 (0.38) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL24577185 0.91 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL29760142 0.91 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL30897453 0.91 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A
SCHEMBL24579086 0.91 IKBKE (0.39) IKBKETBK1WNT1GSK3BDYRK1A

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 IKBKE 1365/4885TBK1 1176/4885WNT1 2716/4885

“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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