SCHEMBL26126504

SCHEMBL26126504

Cc1cccc(OC(C)C)c1-c1nc(N)nc(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HSP90AA1 P07900 5/20 0.37
▸ DHFR P00374 3/20 0.36
▸ HSP90AB1 P08238 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ NUDT1 P36639 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ HTR6 P50406 3/20 0.34
▸ HTR1A P08908 3/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL30588845 1.00 MCHR1 (0.40) MCHR1ADORA2AADORA1HSP90AA1DHFR
SCHEMBL24330396 0.82 HSP90AA1 (0.42) ADORA2AADORA1HSP90AA1DHFRNUDT1
SCHEMBL29515320 0.82 HSP90AA1 (0.42) ADORA2AADORA1HSP90AA1DHFRNUDT1
SCHEMBL24331937 0.79 HSP90AA1 (0.42) MCHR1ADORA2AADORA1HSP90AA1DHFR
SCHEMBL24330522 0.79 LMNA (0.39) ADORA2AADORA1HSP90AA1DHFR
SCHEMBL29515400 0.79 LMNA (0.39) ADORA2AADORA1HSP90AA1DHFR
SCHEMBL24330533 0.78 HSP90AA1 (0.35) ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL29515009 0.78 HSP90AA1 (0.35) ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL30588615 0.77 EZH2 (0.31) CA1CA2CA7CA9IRAK4
SCHEMBL26126845 0.77 EZH2 (0.31) CA1CA2CA7CA9IRAK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 — — US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MCHR1 3756/4885ADORA2A 1798/4885ADORA1 1411/4885

“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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