SCHEMBL16747916

SCHEMBL16747916

CC(N)c1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ABCG2 Q9UNQ0 8/20 0.35
▸ ABCB1 P08183 5/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PKM P14618 1/20 0.34
▸ CSNK1D P48730 2/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 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
SCHEMBL18100949 0.87 GAA (0.44) GAAMAPTTP53RXFP1TDP1
SCHEMBL16740149 0.87 PKM (0.46) GAAMAPTABCG2ABCB1SMN1; SMN2
SCHEMBL16740211 0.85 TUBB4A (0.46) MAPTSMN1; SMN2PKMKDM4ELMNA
SCHEMBL16740327 0.84 GALR2 (0.40) GAAABCG2ABCB1PKMCSNK1D
SCHEMBL16740137 0.84 THRB (0.39) MAPTABCG2SMN1; SMN2PKMMEN1
SCHEMBL16740067 0.83 GAA (0.40) GAAMAPTTP53RXFP1TDP1
SCHEMBL16739687 0.79 IRAK4 (0.45) GAAMAPTABCG2ABCB1ABCC1
SCHEMBL16739647 0.78 SCN9A (0.40) GAAMAPTABCG2ABCB1SMN1; SMN2
SCHEMBL16739675 0.75 KDM4E (0.41) GAAMAPTCSNK1DCSNK1EKDM4E
SCHEMBL16740334 0.75 PKM (0.47) GAAMAPTTDP1ABCG2SMN1; SMN2

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 3 patents. 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
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B GAA 4374/4885MAPT 4561/4885TP53 921/4885

“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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