SCHEMBL18103448

SCHEMBL18103448

FCc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.46
▸ PKM P14618 2/20 0.39
▸ GAA P10253 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 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
SCHEMBL16747808 0.88 PKM (0.50) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL16740228 0.87 CDK2 (0.48) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL18103446 0.85 PKM (0.36) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL18103451 0.85 PKM (0.35) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL16747889 0.84 IRAK4 (0.45) IRAK4PKMMAPTSMN1; SMN2HPGD
SCHEMBL16739653 0.84 TUBB4A (0.51) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL16739687 0.84 IRAK4 (0.45) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL18103423 0.83 NR1I3 (0.36) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL16740085 0.82 IRAK4 (0.43) IRAK4PKMGAAMAPTALDH1A1
SCHEMBL16739951 0.82 IRAK4 (0.47) IRAK4PKMPTGS2CDK2CDK4

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 IRAK4 175/4885PKM 4004/4885GAA 4374/4885

“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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