SCHEMBL24310299

SCHEMBL24310299

CNC(=O)c1ccc(Oc2cc(C3=CCOC(C)(C)C3)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.36
▸ HRH1 P35367 1/20 0.34
▸ TTK P33981 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ KAT6A Q92794 1/20 0.30
▸ KAT5 Q92993 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
SCHEMBL29566607 1.00 HRH3 (0.36) HRH3HRH1TTKSCN9AWNT1
SCHEMBL29566600 0.85 HTR1A (0.37) IRAK4
SCHEMBL24309632 0.85 HTR1A (0.37) IRAK4
SCHEMBL26807740 0.85 HRH3 (0.40) HRH3HRH1TTKSCN9AWNT1
SCHEMBL26807736 0.83 HRH3 (0.38) HRH3HRH1TTKSCN9AWNT1
SCHEMBL29566701 0.82 HRH3 (0.41) HRH3HRH1TTKSCN9AWNT1
SCHEMBL24309639 0.82 HRH3 (0.41) HRH3HRH1TTKSCN9AWNT1
SCHEMBL24309468 0.82 HRH3 (0.37) HRH3HRH1SCN9APARP1
SCHEMBL29566970 0.82 HRH3 (0.37) HRH3HRH1SCN9APARP1
SCHEMBL26810541 0.82 HRH3 (0.39) HRH3HRH1TTKSCN9AWNT1

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 HRH3 4413/4885HRH1 2920/4885TTK 1792/4885

“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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