SCHEMBL26811542

SCHEMBL26811542

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1cccnc1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.37
▸ HTR6 P50406 5/20 0.34
▸ EGFR P00533 3/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HTR7 P34969 6/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ PAK1 Q13153 2/20 0.33
▸ TNIK Q9UKE5 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
SCHEMBL26811564 0.93 HTR1A (0.35) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL29566446 0.93 ALK (0.37) ALKHTR6EGFRHTR1ADRD2
SCHEMBL24310774 0.93 ALK (0.37) ALKHTR6EGFRHTR1ADRD2
SCHEMBL26811548 0.92 ALK (0.33) ALKHTR6EGFRHTR1ADRD2
SCHEMBL26811591 0.92 HTR6 (0.38) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL29566746 0.89 HTR1A (0.38) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL24310048 0.89 HTR1A (0.38) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL26811552 0.89 SCN9A (0.34) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL29567132 0.89 HTR1A (0.36) HTR6EGFRHTR1ADRD2DRD4
SCHEMBL24310080 0.89 HTR1A (0.36) HTR6EGFRHTR1ADRD2DRD4

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 ALK 2616/4885HTR6 2653/4885EGFR 818/4885

“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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