SCHEMBL29567143

SCHEMBL29567143

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(OC2CCCCC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.39
▸ HTR7 P34969 7/20 0.39
▸ TTK P33981 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ PCK1 P35558 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ HDAC3 O15379 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
SCHEMBL24310419 1.00 HTR1A (0.39) HTR1AHTR7TTKMAPK8PCK1
SCHEMBL26811486 0.91 HTR1A (0.37) HTR1AHTR7TTKMAPK8PCK1
SCHEMBL29566900 0.84 HTR1A (0.43) HTR1AHTR7PCK1DRD2KDR
SCHEMBL24309827 0.84 HTR1A (0.43) HTR1AHTR7PCK1DRD2KDR
SCHEMBL29567228 0.83 HTR1A (0.40) HTR1AHTR7PCK1DRD2KDR
SCHEMBL24309861 0.83 HTR1A (0.40) HTR1AHTR7PCK1DRD2KDR
SCHEMBL24309379 0.80 HTR1A (0.39) HTR1AHTR7PCK1CDK2KDR
SCHEMBL29567061 0.79 HTR1A (0.37) HTR1AHTR7PCK1DRD2HTR6
SCHEMBL24309783 0.79 HTR1A (0.37) HTR1AHTR7PCK1DRD2HTR6
SCHEMBL29566628 0.79 PIK3CG (0.40) HTR1AHTR7DRD2HTR6HTR2A

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
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

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 3833/4885TTK 1792/4885

“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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