SCHEMBL24309863

SCHEMBL24309863

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.38
▸ HTR2A P28223 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ HTR6 P50406 4/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ GUSB P08236 1/20 0.37
▸ BRD4 O60885 3/20 0.35
▸ EGFR P00533 5/20 0.34
▸ NUAK2 Q9H093 2/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NUAK1 O60285 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL29567148 1.00 HTR2C (0.38) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL29567005 0.93 BRD4 (0.34) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL24309738 0.93 BRD4 (0.34) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL26811481 0.89 HTR2C (0.40) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL29566911 0.88 SCN9A (0.38) HTR6HTR1AHTR7JAK2JAK3
SCHEMBL24310341 0.88 SCN9A (0.38) HTR6HTR1AHTR7JAK2JAK3
SCHEMBL24310598 0.88 EGFR (0.34) BRD4EGFR
SCHEMBL29567284 0.88 EGFR (0.34) BRD4EGFR
SCHEMBL24309721 0.87 ALDH1A1 (0.32) HTR6HTR1AHTR7BRD4ALDH1A1
SCHEMBL29566599 0.87 ALDH1A1 (0.32) HTR6HTR1AHTR7BRD4ALDH1A1

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 HTR2C 4185/4885HTR2A 3630/4885DRD3 4541/4885

“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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