SCHEMBL26810530

SCHEMBL26810530

Cn1cc(S(=O)(=O)Nc2nc(OC3CCCCC3)cc(C3CC3(C)C)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ JAK1 P23458 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ IRAK4 Q9NWZ3 3/20 0.32
▸ TTK P33981 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ HTR1A P08908 6/20 0.31
▸ HTR7 P34969 6/20 0.31
▸ PTGS1 P23219 3/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PARG Q86W56 1/20 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
SCHEMBL26807611 0.92 CDK2 (0.34) CDK2CDK1GSK3BNLRP3JAK1
SCHEMBL24309687 0.88 CDK1 (0.37) CDK2CDK1GSK3BNLRP3JAK1
SCHEMBL29567868 0.88 CDK1 (0.37) CDK2CDK1GSK3BNLRP3JAK1
SCHEMBL26807922 0.88 CDK1 (0.37) CDK2CDK1GSK3BNLRP3JAK1
SCHEMBL24310459 0.80 NLRP3 (0.36) CDK2CDK1NLRP3JAK1CCNE1
SCHEMBL26810543 0.80 HTR1A (0.39) NLRP3HTR1AHTR7DRD2HTR6
SCHEMBL26806537 0.80 CDK1 (0.38) CDK2CDK1GSK3BNLRP3JAK1
SCHEMBL26810527 0.79 HTR1A (0.35) NLRP3JAK1HTR1AHTR7DRD2
SCHEMBL24310460 0.78 HTR1A (0.36) HTR1AHTR7PTGS1
SCHEMBL29566369 0.78 HTR1A (0.36) HTR1AHTR7PTGS1

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 CDK2 4552/4885CDK1 4718/4885GSK3B 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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