SCHEMBL16739928

SCHEMBL16739928

Cc1ccc(-c2c(C(F)(F)F)nc3ccccn23)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.40
▸ CDK4 P11802 3/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36

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
SCHEMBL18100955 0.82 CDK2 (0.57) CDK2CDK4CCNE1HSD17B10KDM4E
SCHEMBL16740008 0.80 HSD17B10 (0.41) CDK2CDK4CCNE1HSD17B10MAPK13
SCHEMBL16739822 0.80 HSD17B10 (0.42) CDK2CDK4CCNE1HSD17B10NPC1
SCHEMBL16739827 0.77 PKM (0.45) CDK2CDK4CCNE1NPC1RAB9A
SCHEMBL16740030 0.75 HSD17B10 (0.40) CDK2CDK4CCNE1HSD17B10NPC1
SCHEMBL18100968 0.73 HSD17B10 (0.50) HSD17B10NPC1RAB9AKDM4EMAPK1
SCHEMBL16740228 0.72 CDK2 (0.48) CDK2CDK4CCNE1NPC1RAB9A
SCHEMBL16739895 0.71 USP7 (0.54) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL16739675 0.71 KDM4E (0.41) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL13377057 0.71 HSD17B10 (0.53) HSD17B10NPC1KDM4EALDH1A1GLA

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 7 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
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 CDK2 1415/4885CDK4 1151/4885CCNE1 2339/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B CDK2 1415/4885CDK4 1151/4885CCNE1 2339/4885

“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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