SCHEMBL24309488

SCHEMBL24309488

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.37
▸ EGFR P00533 3/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ RIPK2 O43353 4/20 0.35
▸ ACVR1 Q04771 4/20 0.35
▸ NOD2 Q9HC29 4/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ LTA4H P09960 3/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL29566605 1.00 GUSB (0.37) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL26811450 0.94 GUSB (0.36) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL29567089 0.92 HTR6 (0.37) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL24310067 0.92 HTR6 (0.37) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL26811440 0.90 HTR6 (0.41) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL29566830 0.90 HTR6 (0.37) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL26811346 0.90 HTR6 (0.37) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL26811460 0.90 EGFR (0.39) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL26811454 0.89 ACVR1 (0.36) GUSBEGFRHTR6RIPK2ACVR1
SCHEMBL29567116 0.89 LCK (0.36) GUSBEGFRHTR6RIPK2ACVR1

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 GUSB 2723/4885EGFR 818/4885HTR6 2653/4885

“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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