SCHEMBL24310703

SCHEMBL24310703

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ HTR6 P50406 6/20 0.34
▸ EGFR P00533 2/20 0.34
▸ DRD2 P14416 5/20 0.34
▸ HTR2A P28223 4/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ DRD5 P21918 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ MAP2K1 Q02750 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
SCHEMBL29566582 1.00 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL26808935 0.95 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL29566944 0.95 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL26808707 0.93 HTR6 (0.37) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL24310708 0.92 HTR1A (0.35) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL29566915 0.92 HTR1A (0.35) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL24310080 0.92 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL29567132 0.92 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL24310556 0.91 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2
SCHEMBL29566268 0.91 HTR1A (0.36) HTR1AHTR7HTR6EGFRDRD2

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 3833/4885HTR6 2653/4885

“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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