SCHEMBL29759802

SCHEMBL29759802

Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NTRK1 P04629 1/20 0.31
▸ JAK2 O60674 3/20 0.31
▸ JAK1 P23458 3/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL24579076 1.00 CHRM1 (0.40) CHRM1PDGFRAHRH3NTRK1JAK2
SCHEMBL24579030 0.92 CHRM1 (0.41) CHRM1PDGFRAHRH3NTRK1JAK2
SCHEMBL30809509 0.90 PDGFRA (0.42) CHRM1PDGFRAHRH3NTRK1JAK2
SCHEMBL30809534 0.86 PDGFRA (0.56) CHRM1PDGFRAHRH3
SCHEMBL29760114 0.85 CHRM1 (0.42) CHRM1PDGFRAHRH3NTRK1JAK2
SCHEMBL24577729 0.85 CHRM1 (0.42) CHRM1PDGFRAHRH3NTRK1JAK2
SCHEMBL24577317 0.85 PDGFRA (0.41) CHRM1PDGFRAHRH3
SCHEMBL29759553 0.84 ALDH1A1 (0.38) JAK2JAK1ALDH1A1
SCHEMBL27185059 0.84 ALDH1A1 (0.38) JAK2JAK1ALDH1A1
SCHEMBL24577404 0.83 PDGFRA (0.45) CHRM1PDGFRAHRH3JAK2JAK1

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 3 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
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — 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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 CHRM1 4399/4885PDGFRA 1/4885HRH3 1593/4885

“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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