SCHEMBL30566564

SCHEMBL30566564

CNC(=O)Cn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC(C)(C)C5)cnc4C)c3s2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ CYP11B2 P19099 4/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ AURKB Q96GD4 2/20 0.31
▸ SCD O00767 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ BTK Q06187 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ IKBKE Q14164 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL24577273 1.00 WNT1 (0.36) WNT1GSK3BDYRK1AIRAK4CYP11B2
SCHEMBL24577321 0.93 WNT1 (0.38) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL29759715 0.93 IKBKE (0.38) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL24579029 0.93 IKBKE (0.38) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL30897451 0.93 WNT1 (0.38) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL24579055 0.92 WNT1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL27185243 0.91 GSK3B (0.45) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL29759476 0.91 GSK3B (0.45) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL24579028 0.91 WNT1 (0.35) WNT1GSK3BDYRK1AIRAK4CHRM1
SCHEMBL24579041 0.91 WNT1 (0.35) 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 2 patents. 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
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN 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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