SCHEMBL26807618

SCHEMBL26807618

CNC(=O)c1ccc(Oc2cc(C3CCCCC3(C)C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.39
▸ HRH1 P35367 1/20 0.37
▸ CSF1R P07333 3/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ MET P08581 1/20 0.32
▸ RAF1 P04049 2/20 0.32
▸ BRAF P15056 2/20 0.32
▸ TTK P33981 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL26810541 0.91 HRH3 (0.39) HRH3HRH1CSF1RSCN9AJAK1
SCHEMBL26807616 0.90 HRH3 (0.36) HRH3HRH1JAK1KDRMET
SCHEMBL26807606 0.89 HRH3 (0.40) HRH3HRH1KDR
SCHEMBL26807622 0.89 HRH3 (0.43) HRH3HRH1CSF1RSCN9AJAK1
SCHEMBL26807733 0.88 HRH3 (0.42) HRH3HRH1CSF1RSCN9AJAK1
SCHEMBL26807615 0.87 F2 (0.37) HRH3SCN9AKDRMETFGFR1
SCHEMBL24309812 0.86 HRH3 (0.41) HRH3HRH1CSF1RSCN9AJAK1
SCHEMBL26807731 0.85 HRH3 (0.39) HRH3HRH1CSF1RSCN9AJAK1
SCHEMBL26807481 0.84 HTR1A (0.39) JAK1KDRFGFR1NLRP3
SCHEMBL26810505 0.84 HRH3 (0.38) HRH3HRH1CSF1RSCN9AJAK1

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 HRH3 4413/4885HRH1 2920/4885CSF1R 1686/4885

“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.

Send feedback