SCHEMBL27185047

SCHEMBL27185047

Cc1ncc(NC(=O)CN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.37
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ WNT1 P04628 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ KIT P10721 3/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL30566527 1.00 POLQ (0.37) POLQCHRM1PDGFRAHRH3NTRK1
SCHEMBL29759586 0.90 IRAK4 (0.33) POLQCHRM1PDGFRAHRH3WNT1
SCHEMBL24577467 0.90 IRAK4 (0.33) POLQCHRM1PDGFRAHRH3WNT1
SCHEMBL27185031 0.90 POLQ (0.34) POLQCHRM1PDGFRAHRH3
SCHEMBL29760257 0.90 POLQ (0.34) POLQCHRM1PDGFRAHRH3
SCHEMBL29759444 0.88 IRAK4 (0.36) POLQCHRM1PDGFRAHRH3WNT1
SCHEMBL30809571 0.88 CCNT1 (0.33) CHRM1PDGFRAHRH3WNT1GSK3B
SCHEMBL29759698 0.86 WNT1 (0.35) CHRM1PDGFRAHRH3WNT1GSK3B
SCHEMBL24579122 0.86 WNT1 (0.35) CHRM1PDGFRAHRH3WNT1GSK3B
SCHEMBL29759989 0.86 POLQ (0.36) POLQCHRM1PDGFRAHRH3NTRK1

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 POLQ 2881/4885CHRM1 4399/4885PDGFRA 1/4885

“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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