SCHEMBL24309904

SCHEMBL24309904

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)nc1-c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ EGFR P00533 3/20 0.33
▸ CFTR P13569 1/20 0.32
▸ BRD4 O60885 4/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ HTR6 P50406 3/20 0.32
▸ MCOLN2 Q8IZK6 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ MCOLN1 Q9GZU1 1/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ PAK1 Q13153 2/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ DCLK1 O15075 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
SCHEMBL29567289 0.93 PAK1 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24309950 0.93 PAK1 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29566593 0.92 DRD2 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24309884 0.92 DRD2 (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29567132 0.92 HTR1A (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24310080 0.92 HTR1A (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29567063 0.91 EGFR (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24309999 0.91 EGFR (0.36) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL24309428 0.90 EGFR (0.32) HTR1ADRD2DRD4HTR2AHTR2C
SCHEMBL29566832 0.90 EGFR (0.32) HTR1ADRD2DRD4HTR2AHTR2C

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 HTR1A 4018/4885DRD2 4505/4885DRD4 4670/4885

“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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