SCHEMBL2153607

SCHEMBL2153607

Cc1cc(Nc2nc3cccc(NC4CCC(O)CC4)n3n2)cc2c1CC(=O)N2C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.33
MAPK7 Q13164 5/20 0.33
MAP3K5 Q99683 1/20 0.33
CSNK2A1 P68400 1/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
EML4 Q9HC35 2/20 0.33
ALK Q9UM73 2/20 0.33
JAK2 O60674 6/20 0.33
JAK3 P52333 4/20 0.33
PTK2 Q05397 4/20 0.33
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
BRD2 P25440 1/20 0.32
EP300 Q09472 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL2153613 1.00 BRD4 (0.33) BRD4MAPK7MAP3K5CSNK2A1IRAK4
SCHEMBL2144344 0.87 BRD4 (0.34) BRD4MAPK7MAP3K5IRAK4JAK2
SCHEMBL2144337 0.87 BRD4 (0.34) BRD4MAPK7MAP3K5IRAK4JAK2
SCHEMBL3301958 0.86 JAK2 (0.37) BRD4MAPK7MAP3K5IRAK4EML4
SCHEMBL3301970 0.86 JAK2 (0.37) BRD4MAPK7MAP3K5IRAK4EML4
SCHEMBL3303907 0.84 BRD4 (0.37) BRD4MAPK7MAP3K5CSNK2A1EML4
SCHEMBL3303909 0.84 BRD4 (0.37) BRD4MAPK7MAP3K5CSNK2A1EML4
SCHEMBL2144388 0.81 MAP3K5 (0.38) MAP3K5CSNK2A1IRAK4JAK2JAK3
SCHEMBL2144383 0.81 MAP3K5 (0.38) MAP3K5CSNK2A1IRAK4JAK2JAK3
SCHEMBL2144910 0.80 JAK2 (0.43) MAP3K5IRAK4JAK2JAK3PTK2

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 10 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 claimed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US claimed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US claimed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US claimed
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
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 BRD4 596/4885MAPK7 195/4885MAP3K5 5/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 BRD4 596/4885MAPK7 195/4885MAP3K5 5/4885

“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.