SCHEMBL16747933

SCHEMBL16747933

[O-][n+]1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.46
▸ NTRK1 P04629 2/20 0.42
▸ CDK2 P24941 4/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CCNE1 P24864 1/20 0.35

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
SCHEMBL16740278 0.85 PKM (0.33) PKMNTRK1GAAMAPTTP53
SCHEMBL16747808 0.84 PKM (0.50) PKMNTRK1CDK2CDK4NPC1
SCHEMBL16740355 0.82 PKM (0.51) PKMNTRK1CDK2NPC1ALDH1A1
SCHEMBL16740334 0.80 PKM (0.47) PKMNTRK1CDK2NPC1ALDH1A1
SCHEMBL16740264 0.79 ACP1 (0.47) PKMNTRK1ALDH1A1GAAMAPT
SCHEMBL16740149 0.79 PKM (0.46) PKMNTRK1NPC1ALDH1A1GAA
SCHEMBL16740120 0.79 PKM (0.43) PKMNTRK1NPC1ALDH1A1MAPT
SCHEMBL16747823 0.78 PKM (0.45) PKMNTRK1CDK2CDK4NPC1
SCHEMBL16739913 0.78 PKM (0.45) PKMNTRK1CDK2NPC1ALDH1A1
SCHEMBL16739645 0.77 NTRK1 (0.47) PKMNTRK1NPC1MAPK8CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 — — US claimed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US claimed
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 — — US disclosed
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 (2 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 4004/4885NTRK1 3907/4885CDK2 1415/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B PKM 4004/4885NTRK1 3907/4885CDK2 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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