SCHEMBL16739895

SCHEMBL16739895

COc1ccc(-c2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 1/20 0.54
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TUBB4A P04350 4/20 0.47
▸ TUBB P07437 4/20 0.47
▸ TUBA3C P0DPH7 4/20 0.47
▸ TUBA1B P68363 4/20 0.47
▸ TUBA4A P68366 4/20 0.47
▸ TUBB4B P68371 4/20 0.47
▸ TUBB3 Q13509 4/20 0.47
▸ TUBB2A Q13885 4/20 0.47
▸ TUBB8 Q3ZCM7 4/20 0.47
▸ TUBA3E Q6PEY2 4/20 0.47
▸ TUBA1A Q71U36 4/20 0.47
▸ TUBA1C Q9BQE3 4/20 0.47
▸ TUBB6 Q9BUF5 4/20 0.47
▸ TUBB2B Q9BVA1 4/20 0.47

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
SCHEMBL16739653 0.84 TUBB4A (0.51) USP7NPC1RAB9AKDM4EALDH1A1
SCHEMBL16740008 0.76 HSD17B10 (0.41) USP7NPC1RAB9AKDM4EALDH1A1
SCHEMBL16739906 0.76 TUBB4A (0.49) USP7NPC1RAB9AKDM4EALDH1A1
SCHEMBL16740049 0.75 TUBB4A (0.46) USP7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL16747889 0.73 IRAK4 (0.45) NPC1RAB9ASMN1; SMN2TUBB4ATUBB
SCHEMBL16740211 0.73 TUBB4A (0.46) USP7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13325765 0.72 NPC1 (0.68) USP7NPC1RAB9AKDM4EALDH1A1
SCHEMBL3628069 0.71 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16739794 0.71 ABCG2 (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16747967 0.71 MAPT (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 USP7 1481/4885NPC1 3521/4885RAB9A 3343/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B USP7 1481/4885NPC1 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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