SCHEMBL24310035

SCHEMBL24310035

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1c(C)cccc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ RIPK2 O43353 6/20 0.35
▸ ACVR1 Q04771 6/20 0.35
▸ NOD2 Q9HC29 6/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ GUSB P08236 5/20 0.33
▸ AXL P30530 2/20 0.33
▸ MERTK Q12866 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LTA4H P09960 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
SCHEMBL29567543 1.00 LCK (0.37) LCKJAK3BTKTNK2HTR6
SCHEMBL29566401 0.93 NOD2 (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL24310021 0.93 NOD2 (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL29567116 0.92 LCK (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL24310024 0.92 LCK (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL26811465 0.92 NOD2 (0.41) HTR6RIPK2ACVR1NOD2GUSB
SCHEMBL24310067 0.92 HTR6 (0.37) LCKJAK3BTKTNK2HTR6
SCHEMBL29567256 0.92 NOD2 (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL24309496 0.92 NOD2 (0.36) LCKJAK3BTKTNK2HTR6
SCHEMBL29567089 0.92 HTR6 (0.37) LCKJAK3BTKTNK2HTR6

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 LCK 4279/4885JAK3 3929/4885BTK 1113/4885

“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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