SCHEMBL24310372

SCHEMBL24310372

Cc1cc(N2CCNCC2)ccc1Oc1cc(-c2c(C)cccc2C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ GUSB P08236 3/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34

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
SCHEMBL29567188 1.00 HTR6 (0.37) HTR6BRD4LCKJAK3BTK
SCHEMBL26808278 0.93 EGFR (0.38) HTR6LCKGUSBEGFR
SCHEMBL29566922 0.93 EGFR (0.38) HTR6LCKGUSBEGFR
SCHEMBL26858387 0.90 GUSB (0.42) HTR6GUSB
SCHEMBL24310583 0.90 RIPK2 (0.38) HTR6BRD4LCKJAK3BTK
SCHEMBL26809994 0.88 GUSB (0.36) HTR6BRD4LCKJAK3BTK
SCHEMBL24309574 0.85 BRD4 (0.41) HTR6BRD4EGFR
SCHEMBL29567022 0.85 BRD4 (0.41) HTR6BRD4EGFR
SCHEMBL29566284 0.84 HTR3E (0.39) HTR6GUSBSRCACVR1
SCHEMBL26808265 0.84 HTR3E (0.39) HTR6GUSBSRCACVR1

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 2 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
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 2653/4885BRD4 1716/4885LCK 4279/4885

“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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