SCHEMBL18103451

SCHEMBL18103451

OCCNc1cc(Nc2ccc(CF)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ TAOK1 Q7L7X3 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34

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
SCHEMBL16740288 0.91 PKM (0.43) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL18103446 0.88 PKM (0.36) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL16747824 0.87 GALR2 (0.39) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL18103448 0.85 IRAK4 (0.46) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL18103423 0.83 NR1I3 (0.36) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL18100959 0.81 CDK2 (0.44) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL16739913 0.79 PKM (0.45) PKMIRAK4CDK2PRKD3MAP4K4
SCHEMBL16747807 0.79 PKM (0.42) PKMCDK2GAAMAPTKDM4E
SCHEMBL18103453 0.78 FADS1 (0.32) —
SCHEMBL16747868 0.78 KCNH3 (0.34) PKMKCNH3MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B PKM 4004/4885IRAK4 175/4885CDK2 1415/4885

“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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