SCHEMBL16740008

SCHEMBL16740008

FC(F)(F)c1nc2ccccn2c1-c1cccc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ NR1I3 Q14994 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ USP7 Q93009 1/20 0.37

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
SCHEMBL16740030 0.84 HSD17B10 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16739928 0.80 CDK2 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740228 0.80 CDK2 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL16739675 0.79 KDM4E (0.41) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL15742444 0.78 HSD17B10 (0.40) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740043 0.78 KDM4E (0.42) RAB9AKDM4EALDH1A1HPGDGLA
SCHEMBL18100935 0.78 CDK2 (0.58) HSD17B10KDM4EALDH1A1HPGDGLA
SCHEMBL16739822 0.77 HSD17B10 (0.42) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740058 0.77 HSD17B10 (0.42) HSD17B10NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL16740179 0.77 ALDH1A1 (0.42) HSD17B10NPC1RAB9AALDH1A1NR1I3

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 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
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 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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