SCHEMBL24309812

SCHEMBL24309812

CNC(=O)c1ccc(Oc2cc(C3CCCCC3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.41
▸ HRH1 P35367 1/20 0.37
▸ JAK1 P23458 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ RAF1 P04049 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ CSF1R P07333 3/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TTK P33981 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
SCHEMBL26807622 0.91 HRH3 (0.43) HRH3HRH1JAK1PARP1RAF1
SCHEMBL26807733 0.91 HRH3 (0.42) HRH3HRH1JAK1PARP1RAF1
SCHEMBL26807618 0.86 HRH3 (0.39) HRH3HRH1JAK1PARP1RAF1
SCHEMBL26810541 0.86 HRH3 (0.39) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL29566701 0.85 HRH3 (0.41) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL24309639 0.85 HRH3 (0.41) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL26807731 0.85 HRH3 (0.39) HRH3HRH1JAK1PARP1SCN9A
SCHEMBL24309811 0.84 HRH3 (0.40) HRH3HRH1PARP1RAF1BRAF
SCHEMBL26807483 0.84 HTR1A (0.41) JAK1NLRP3HTR1AHTR7
SCHEMBL24309638 0.83 HRH3 (0.40) HRH3HRH1JAK1PARP1RAF1

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 2920/4885JAK1 3913/4885

“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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