SCHEMBL4249003

SCHEMBL4249003

Cc1ccc(Cl)c(C(=O)N2CCC(Nc3nc4ccc(F)c(F)c4o3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.42
THRB P10828 1/20 0.39
AURKA O14965 8/20 0.39
KMT2A Q03164 1/20 0.38
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
ATM Q13315 1/20 0.37
GPR6 P46095 1/20 0.36
SSTR5 P35346 1/20 0.36

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
SCHEMBL4249000 1.00 GFER (0.42) GFERTHRBAURKAKMT2ACCNK
SCHEMBL4240923 0.90 GFER (0.40) GFERTHRBAURKAHRH4GPR6
SCHEMBL4240926 0.90 GFER (0.40) GFERTHRBAURKAHRH4GPR6
SCHEMBL8227626 0.89 GFER (0.45) GFERTHRBKMT2ACCNKCDK12
SCHEMBL4241934 0.88 HCRTR1 (0.44) GFERKMT2ACCNKCDK12CCNA2
SCHEMBL4241941 0.88 HCRTR1 (0.44) GFERKMT2ACCNKCDK12CCNA2
SCHEMBL4244415 0.85 GFER (0.46) GFERKMT2ACCNKCDK12CCNA2
SCHEMBL4244423 0.85 GFER (0.46) GFERKMT2ACCNKCDK12CCNA2
SCHEMBL4392235 0.83 GFER (0.41) GFERTHRBCCNKCDK12CCNA2
SCHEMBL4385982 0.82 HCRTR1 (0.40) GFERAURKAKMT2ACCNKCDK12

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-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A GFER 607/4885THRB 246/4885AURKA 3244/4885

“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.