SCHEMBL16740179

SCHEMBL16740179

O=[N+]([O-])c1cc(Cl)nc(-c2c(C(F)(F)F)nc3ccccn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MARK4 Q96L34 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ NR1I3 Q14994 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ CHEK2 O96017 2/20 0.36
▸ RPS6KA3 P51812 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL16739598 0.83 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1PTGS1MAPT
SCHEMBL2094210 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16740120 0.80 PKM (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16739675 0.80 KDM4E (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16740008 0.77 HSD17B10 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16740220 0.77 PKM (0.40) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18094393 0.76 PKM (0.39) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16747873 0.75 KDM4E (0.45) ALDH1A1RAB9ASMN1; SMN2HSD17B10NR1I3
SCHEMBL16740030 0.75 HSD17B10 (0.40) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL16739928 0.69 CDK2 (0.40) ALDH1A1NPC1RAB9AHSD17B10NR1I3

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 5 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 disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 — — US disclosed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 — — EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 — — WO 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 ALDH1A1 1727/4885KMT2A 132/4885MEN1 985/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885KMT2A 132/4885MEN1 985/4885

“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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