SCHEMBL24309725

SCHEMBL24309725

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCNCC3)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.39
▸ RIPK2 O43353 5/20 0.37
▸ ACVR1 Q04771 5/20 0.37
▸ NOD2 Q9HC29 5/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ GUSB P08236 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ IGF1R P08069 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL29567259 1.00 HTR6 (0.39) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL24309903 0.92 NOD2 (0.39) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL29566801 0.92 NOD2 (0.39) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL29567089 0.92 HTR6 (0.37) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL24310067 0.92 HTR6 (0.37) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL24309861 0.87 HTR1A (0.40) EGFRHTR1AHTR7KDM4E
SCHEMBL29567228 0.87 HTR1A (0.40) EGFRHTR1AHTR7KDM4E
SCHEMBL24310024 0.87 LCK (0.36) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL29567116 0.87 LCK (0.36) HTR6RIPK2ACVR1NOD2EGFR
SCHEMBL29566726 0.85 RIPK2 (0.39) HTR6RIPK2ACVR1NOD2EGFR

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 HTR6 2653/4885RIPK2 3698/4885ACVR1 1319/4885

“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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