SCHEMBL2147613

SCHEMBL2147613

Cc1nnc2cc(Nc3nc4cccc(NC5CCOCC5)n4n3)ccn12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.38
JAK3 P52333 6/20 0.38
PTK2 Q05397 6/20 0.38
MAPK1 P28482 4/20 0.38
BRD4 O60885 1/20 0.37
PIM1 P11309 3/20 0.36
PDE10A Q9Y233 2/20 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
SCHEMBL2144812 0.89 MAPK8 (0.41) JAK2JAK3PTK2PIM1
SCHEMBL2144807 0.89 MAPK8 (0.41) JAK2JAK3PTK2PIM1
SCHEMBL2143995 0.84 JAK2 (0.38) JAK2JAK3PTK2
SCHEMBL3307376 0.81 JAK2 (0.43) JAK2JAK3PTK2MAPK1PIM1
SCHEMBL13392641 0.77 JAK2 (0.39) JAK2JAK3PTK2BRD4PDE10A
SCHEMBL13391373 0.77 PDE10A (0.39) JAK2JAK3PTK2PDE10A
SCHEMBL13391480 0.77 JAK2 (0.36) JAK2JAK3PTK2MAPK1PDE10A
SCHEMBL13391687 0.76 EML4 (0.40) JAK2JAK3PTK2BRD4PDE10A
SCHEMBL13392671 0.76 CDK2 (0.46) JAK2JAK3PTK2BRD4
SCHEMBL2144990 0.76 JAK2 (0.39) JAK2JAK3PTK2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO claimed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 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
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 (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-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.