SCHEMBL26811978

SCHEMBL26811978

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ MAP4K1 Q92918 2/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ SLC8A1 P32418 1/20 0.31
▸ PTK2 Q05397 7/20 0.31
▸ FLT4 P35916 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ MAP4K3 Q8IVH8 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 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
SCHEMBL29567192 0.94 BRD4 (0.36) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL26808522 0.94 BRD4 (0.36) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL24309541 0.92 HTR1A (0.34) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL29566770 0.89 BRD4 (0.36) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL24309993 0.89 BRD4 (0.36) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL24309455 0.88 BRD4 (0.37) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL26808540 0.88 PTK2 (0.34) BRD4SCN9AMAP4K1SLC8A1PTK2
SCHEMBL26808599 0.86 BRD4 (0.35) BRD4SCN9AMAP4K1HTR1AHTR7
SCHEMBL24309772 0.86 HTR1A (0.35) BRD4SCN9AHTR1AHTR7SLC8A1
SCHEMBL29567070 0.86 SCN9A (0.40) BRD4SCN9AMAP4K1HTR1AHTR7

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 BRD4 1716/4885SCN9A 385/4885MAP4K1 3678/4885

“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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