SCHEMBL24310022

SCHEMBL24310022

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ RIPK2 O43353 6/20 0.34
▸ ACVR1 Q04771 6/20 0.34
▸ NOD2 Q9HC29 6/20 0.34
▸ GUSB P08236 5/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ TNK2 Q07912 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ HTR7 P34969 2/20 0.31
▸ DRD2 P14416 1/20 0.30

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
SCHEMBL26811454 0.91 ACVR1 (0.36) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL29566830 0.90 HTR6 (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL26811346 0.90 HTR6 (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL29567089 0.89 HTR6 (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL24310067 0.89 HTR6 (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL29566605 0.88 GUSB (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL24309488 0.88 GUSB (0.37) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL26811440 0.87 HTR6 (0.41) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL26811460 0.87 EGFR (0.39) EGFRHTR6RIPK2ACVR1NOD2
SCHEMBL24310024 0.86 LCK (0.36) EGFRHTR6RIPK2ACVR1NOD2

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 5 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
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
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 EGFR 818/4885HTR6 2653/4885RIPK2 3698/4885

“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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