SCHEMBL3299884

SCHEMBL3299884

O=C(O)c1cccc2nc(Br)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KMT2A Q03164 1/20 0.36
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AHR P35869 1/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
TGFBR1 P36897 1/20 0.33
JAK1 P23458 1/20 0.33
GNE Q9Y223 1/20 0.33

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
SCHEMBL3297643 0.81 MAPT (0.40) KMT2AKDM4EJAK1JAK2ALDH1A1
SCHEMBL13218426 0.79 HDAC4 (0.37) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL2144917 0.74 JAK1 (0.38) JAK1JAK2
SCHEMBL13457643 0.74 AHR (0.39) KMT2ANUDT1AHRJAK1
SCHEMBL2252581 0.74 NUDT1 (0.65) NUDT1KDM4EAHRJAK1JAK2
SCHEMBL3303841 0.74 AHR (0.58) NUDT1AHR
SCHEMBL3297721 0.73 JAK2 (0.51) KMT2AJAK1JAK2
SCHEMBL3304056 0.72 CES2 (0.46) KMT2AKDM4EJAK1JAK2HPGD
SCHEMBL25074680 0.71 AHR (0.39) KMT2ANUDT1AHR
SCHEMBL13390440 0.71 CYP11B2 (0.53) AHRALDH1A1

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 HDAC4 1264/4885HDAC1 637/4885HDAC7 1419/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 HDAC4 1264/4885HDAC1 637/4885HDAC7 1419/4885

“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.