SCHEMBL26807922

SCHEMBL26807922

Cn1cc(S(=O)(=O)Nc2nc(OC3CCCCC3)cc(C3CCCCC3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.36
▸ JAK1 P23458 1/20 0.34
▸ TTK P33981 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ HTR1A P08908 6/20 0.33
▸ HTR7 P34969 6/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32

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
SCHEMBL29567868 1.00 CDK1 (0.37) CDK1CDK2GSK3BNLRP3JAK1
SCHEMBL24309687 1.00 CDK1 (0.37) CDK1CDK2GSK3BNLRP3JAK1
SCHEMBL26810530 0.88 CDK2 (0.35) CDK1CDK2GSK3BNLRP3JAK1
SCHEMBL26807611 0.86 CDK2 (0.34) CDK1CDK2GSK3BNLRP3JAK1
SCHEMBL26807354 0.85 HTR1A (0.42) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL29566649 0.85 HTR1A (0.42) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL26807484 0.84 HTR1A (0.43) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL24309306 0.83 NLRP3 (0.38) CDK1CDK2NLRP3JAK1TLR8
SCHEMBL29566960 0.83 HTR1A (0.39) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL24309834 0.83 HTR1A (0.39) NLRP3JAK1HTR1AHTR7DRD2

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CDK1 4718/4885CDK2 4552/4885GSK3B 3351/4885

“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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