SCHEMBL6284422

SCHEMBL6284422

CCOC(OCC)c1ccc(-c2nccn2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 6/20 0.38
PTGS2 P35354 6/20 0.38
BCHE P06276 5/20 0.37
KDM5B Q9UGL1 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 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
SCHEMBL16606148 0.77 HDAC4 (0.47) HDAC4NPC1RAB9AKDM5BBRD4
SCHEMBL21405216 0.74 HDAC4 (0.45) L3MBTL1HDAC4NPC1RAB9AKDM5B
SCHEMBL21405215 0.74 HDAC4 (0.45) L3MBTL1HDAC4NPC1RAB9AKDM5B
SCHEMBL10227692 0.74 HDAC4 (0.42) L3MBTL1HDAC4NPC1RAB9AKDM5B
SCHEMBL2326291 0.73 IDO1 (0.47) HDAC4NPC1RAB9AKDM5BBRD4
SCHEMBL10194263 0.73 KDM4E (0.51) L3MBTL1HDAC4NPC1RAB9AKDM5B
SCHEMBL2124403 0.72 CXCR4 (0.46) L3MBTL1NPC1RAB9AACHEPTGS2
SCHEMBL15236227 0.72 HDAC4 (0.41) L3MBTL1HDAC4NPC1RAB9AKDM5B
SCHEMBL6394314 0.72 PTGS2 (0.57) L3MBTL1NPC1RAB9AACHEPTGS2
SCHEMBL6774813 0.72 ALDH1A1 (0.55) L3MBTL1NPC1RAB9AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 US 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 (1 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-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK L3MBTL1 3632/4885HDAC4 2311/4885NPC1 4682/4885

“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.