SCHEMBL24310029

SCHEMBL24310029

CCc1c(Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1Oc1cccc(N2CCN(C)CC2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.35
▸ HTR1A P08908 5/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ HTR7 P34969 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ MET P08581 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL29567367 1.00 HTR6 (0.35) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL24309483 0.92 HTR1A (0.41) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL29566556 0.92 HTR1A (0.41) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL29566934 0.84 HTR7 (0.39) HTR6HTR1AHTR2ADRD2HTR2C
SCHEMBL24310020 0.84 HTR7 (0.39) HTR6HTR1AHTR2ADRD2HTR2C
SCHEMBL24309320 0.83 HCRTR1 (0.35) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL29566767 0.83 HCRTR1 (0.35) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL24310358 0.83 BRD9 (0.36) HTR6HTR1AHTR2ADRD2DRD4
SCHEMBL24310629 0.83 HTR1A (0.36) HTR6HTR1AHTR2ADRD2KMT2A
SCHEMBL29566939 0.83 BRD9 (0.36) HTR6HTR1AHTR2ADRD2DRD4

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 3 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
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 HTR6 2653/4885HTR1A 4018/4885HTR2A 3630/4885

“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.

Send feedback