SCHEMBL26811552

SCHEMBL26811552

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1cccnc1C(F)(F)P

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ HTR1A P08908 9/20 0.33
▸ HTR2A P28223 6/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR7 P34969 10/20 0.32
▸ HTR6 P50406 7/20 0.32
▸ BRAF P15056 1/20 0.32
▸ PAK1 Q13153 2/20 0.31
▸ EGFR P00533 2/20 0.31
▸ USP1 O94782 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ BRPF1 P55201 1/20 0.30
▸ BRD9 Q9H8M2 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
SCHEMBL26811564 0.91 HTR1A (0.35) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL26811542 0.89 ALK (0.37) SCN9AHTR1AHTR2ADRD2DRD4
SCHEMBL26811548 0.88 ALK (0.33) SCN9AHTR1AHTR2ADRD2DRD4
SCHEMBL29566446 0.87 ALK (0.37) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL24310774 0.87 ALK (0.37) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL29566746 0.87 HTR1A (0.38) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL24310048 0.87 HTR1A (0.38) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL29567132 0.86 HTR1A (0.36) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL24310080 0.86 HTR1A (0.36) HTR1AHTR2ADRD2DRD4HTR2C
SCHEMBL26811591 0.86 HTR6 (0.38) HTR1AHTR2ADRD2DRD4HTR2C

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 SCN9A 385/4885HTR1A 4018/4885HTR2A 3630/4885

“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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