SCHEMBL16739822

SCHEMBL16739822

Cc1ccc(Cl)nc1-c1c(C(F)(F)F)nc2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PKM P14618 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL16740058 0.85 HSD17B10 (0.42) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16739928 0.80 CDK2 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740008 0.77 HSD17B10 (0.41) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL15742444 0.75 HSD17B10 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740030 0.73 HSD17B10 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL18100968 0.73 HSD17B10 (0.50) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL29439006 0.71 HSD17B10 (0.45) HSD17B10NPC1HSP90AA1HSP90AB1KDM4E
SCHEMBL13377057 0.71 HSD17B10 (0.53) HSD17B10NPC1HSP90AA1HSP90AB1KDM4E
SCHEMBL18100956 0.69 CDK2 (0.51) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL10188084 0.69 USP7 (0.51) HSD17B10NPC1HSP90AA1HSP90AB1KDM4E

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 4 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

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 HSD17B10 2940/4885NPC1 3521/4885RAB9A 3343/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B HSD17B10 2940/4885NPC1 3521/4885RAB9A 3343/4885

“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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