SCHEMBL27185039

SCHEMBL27185039

Cc1ncc(NC(=O)CN2CC3(CCCCO3)C2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ OGA O60502 2/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL29759726 1.00 CHRM1 (0.32) CHRM1PDGFRAHRH3PDCD1CD274
SCHEMBL29759961 0.87 IRAK4 (0.34) CHRM1PDGFRAHRH3IRAK4
SCHEMBL27184975 0.87 IRAK4 (0.34) CHRM1PDGFRAHRH3IRAK4
SCHEMBL29759648 0.87 WNT1 (0.37) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL24577265 0.87 WNT1 (0.37) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29760042 0.86 PDCD1 (0.33) CHRM1PDGFRAHRH3PDCD1CD274
SCHEMBL27185330 0.86 PDCD1 (0.33) CHRM1PDGFRAHRH3PDCD1CD274
SCHEMBL27185031 0.85 POLQ (0.34) CHRM1PDGFRAHRH3
SCHEMBL24578461 0.85 ALDH1A1 (0.40) —
SCHEMBL24579109 0.85 ALDH1A1 (0.39) CHRM1PDGFRAHRH3OGA

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 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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