SCHEMBL24310541

SCHEMBL24310541

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)c(F)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ HTR6 P50406 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ PCK1 P35558 1/20 0.32
▸ HTR1A P08908 5/20 0.32
▸ HTR7 P34969 5/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ MET P08581 1/20 0.31

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
SCHEMBL29566894 1.00 SCN9A (0.36) SCN9AJAK2HTR6ACVR1PCK1
SCHEMBL24309558 0.95 SCN9A (0.34) SCN9AJAK2HTR6PCK1HTR1A
SCHEMBL29566773 0.95 SCN9A (0.34) SCN9AJAK2HTR6PCK1HTR1A
SCHEMBL29567070 0.91 SCN9A (0.40) SCN9AJAK2HTR1AHTR7SLC8A1
SCHEMBL24310783 0.91 SCN9A (0.40) SCN9AJAK2HTR1AHTR7SLC8A1
SCHEMBL24309541 0.90 HTR1A (0.34) SCN9AJAK2HTR6PCK1HTR1A
SCHEMBL29566869 0.89 HTR1A (0.36) SCN9AJAK2HTR6PCK1HTR1A
SCHEMBL24310107 0.89 HTR1A (0.36) SCN9AJAK2HTR6PCK1HTR1A
SCHEMBL24309520 0.88 SCN9A (0.35) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL29566590 0.88 SCN9A (0.35) SCN9AJAK2PCK1HTR1AHTR7

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 SCN9A 385/4885JAK2 3498/4885HTR6 2653/4885

“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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