SCHEMBL3301958

SCHEMBL3301958

CN1C(=O)Cc2ccc(Nc3nc4cccc(NC5CCC(O)CC5)n4n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.37
JAK3 P52333 13/20 0.37
PTK2 Q05397 13/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 1/20 0.35
SYK P43405 1/20 0.35
BRD4 O60885 1/20 0.34
MAPK7 Q13164 1/20 0.34
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL3301970 1.00 JAK2 (0.37) JAK2JAK3PTK2IRAK4EML4
SCHEMBL3309853 0.89 JAK2 (0.38) JAK2JAK3PTK2SYK
SCHEMBL2144724 0.88 JAK2 (0.35) JAK2JAK3PTK2IRAK4EML4
SCHEMBL2144718 0.88 JAK2 (0.35) JAK2JAK3PTK2IRAK4EML4
SCHEMBL3309521 0.86 CDK9 (0.36) JAK2JAK3PTK2IRAK4EML4
SCHEMBL2153607 0.86 BRD4 (0.33) JAK2JAK3PTK2IRAK4EML4
SCHEMBL2153613 0.86 BRD4 (0.33) JAK2JAK3PTK2IRAK4EML4
SCHEMBL2144279 0.84 MARK3 (0.36) JAK2JAK3PTK2IRAK4BRD4
SCHEMBL2144282 0.84 MARK3 (0.36) JAK2JAK3PTK2IRAK4BRD4
SCHEMBL2144300 0.84 MARK3 (0.36) JAK2JAK3PTK2IRAK4BRD4

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 8 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
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 JAK2 26/4885JAK3 86/4885PTK2 220/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885PTK2 220/4885

“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.