SCHEMBL24310556

SCHEMBL24310556

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2Cl)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ EGFR P00533 2/20 0.33
▸ HTR6 P50406 5/20 0.33
▸ APAF1 O14727 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ DRD2 P14416 4/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TACR1 P25103 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
SCHEMBL29566268 1.00 HTR1A (0.36) HTR1AHTR7EGFRHTR6APAF1
SCHEMBL26808486 0.94 HTR1A (0.34) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL26811673 0.92 HTR1A (0.33) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL26808935 0.92 HTR1A (0.36) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL29566944 0.92 HTR1A (0.36) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL29566582 0.91 HTR1A (0.36) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL24310703 0.91 HTR1A (0.36) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL26808707 0.90 HTR6 (0.37) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL29566915 0.90 HTR1A (0.35) HTR1AHTR7EGFRHTR6DRD2
SCHEMBL24310708 0.90 HTR1A (0.35) HTR1AHTR7EGFRHTR6DRD2

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 HTR1A 4018/4885HTR7 3833/4885EGFR 818/4885

“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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