SCHEMBL24309279

SCHEMBL24309279

CSc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.42
▸ HTR7 P34969 6/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HTR2A P28223 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYBB P04839 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ USP1 O94782 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 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
SCHEMBL29566434 1.00 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566741 0.86 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309750 0.86 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566738 0.85 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309759 0.85 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808415 0.85 SMN1; SMN2 (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309659 0.83 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567073 0.83 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309340 0.81 USP1 (0.31) TSHRUSP1KMT2AKDM4EMAPT
SCHEMBL29567059 0.81 USP1 (0.31) TSHRUSP1KMT2AKDM4EMAPT

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 3833/4885DRD2 4505/4885

“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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