SCHEMBL24309435

SCHEMBL24309435

Cn1cc(S(=O)(=O)Nc2nc(Cl)c(C3CC3)c(Cl)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ SLC6A9 P48067 2/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34

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
SCHEMBL24309813 0.85 NLRP3 (0.38) JAK1HTR1AHTR7NLRP3CCNB2
SCHEMBL24309457 0.84 HTR1A (0.39) PDE10AJAK1HTR1AHTR7DRD2
SCHEMBL24309366 0.84 PDE10A (0.38) PDE10AHTR1AHTR7NLRP3CCNB2
SCHEMBL29567055 0.83 HTR1A (0.40) HTR1AHTR7DRD2HTR6SMN1; SMN2
SCHEMBL24310058 0.83 GAA (0.38) JAK1HTR1AHTR7NLRP3CCNB2
SCHEMBL24309831 0.83 KAT6A (0.41) JAK1HTR1AHTR7NLRP3CCNB2
SCHEMBL24309501 0.82 MALT1 (0.37) JAK1HTR1AHTR7NLRP3CCNB2
SCHEMBL24309731 0.81 HTR1A (0.38) JAK1HTR1AHTR7DRD2HTR6
SCHEMBL24309573 0.81 HTR1A (0.38) JAK1HTR1AHTR7NLRP3CCNB2
SCHEMBL29566398 0.80 MAP4K3 (0.35) HTR1AHTR7DRD2HTR6SLC6A9

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PDE10A 210/4885JAK1 3913/4885HTR1A 4018/4885

“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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