SCHEMBL26811346

SCHEMBL26811346

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ HTR7 P34969 4/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ EGFR P00533 1/20 0.36
▸ RIPK2 O43353 6/20 0.35
▸ ACVR1 Q04771 6/20 0.35
▸ NOD2 Q9HC29 6/20 0.35
▸ LTA4H P09960 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL29566830 1.00 HTR6 (0.37) HTR6HTR1AHTR7DRD2EGFR
SCHEMBL24310067 0.90 HTR6 (0.37) HTR6HTR1AHTR7EGFRRIPK2
SCHEMBL29567089 0.90 HTR6 (0.37) HTR6HTR1AHTR7EGFRRIPK2
SCHEMBL24310022 0.90 EGFR (0.35) HTR6HTR1AHTR7DRD2EGFR
SCHEMBL29566605 0.90 GUSB (0.37) HTR6HTR7EGFRRIPK2ACVR1
SCHEMBL24309488 0.90 GUSB (0.37) HTR6HTR7EGFRRIPK2ACVR1
SCHEMBL26811440 0.89 HTR6 (0.41) HTR6HTR1AHTR7EGFRRIPK2
SCHEMBL26811460 0.88 EGFR (0.39) HTR6HTR1AHTR7DRD2EGFR
SCHEMBL26811454 0.88 ACVR1 (0.36) HTR6HTR1AHTR7EGFRRIPK2
SCHEMBL24310024 0.88 LCK (0.36) HTR6EGFRRIPK2ACVR1NOD2

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 2653/4885HTR1A 4018/4885HTR7 3833/4885

“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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