SCHEMBL3304489

SCHEMBL3304489

COc1cc(C(=O)c2nccc3nc(Nc4ccc5c(C)n[nH]c5c4)nn23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.40
LRRK2 Q5S007 4/20 0.36
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
JAK3 P52333 1/20 0.34
SYK P43405 2/20 0.34
SRC P12931 1/20 0.34
GSK3A P49840 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPK1 P28482 2/20 0.33
KDR P35968 1/20 0.33
JAK1 P23458 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
SCHEMBL3302298 0.89 JAK2 (0.42) JAK2LRRK2KCNK3KCNK9JAK3
SCHEMBL3304752 0.79 NR2E1 (0.41) JAK2JAK3GSK3AJAK1
SCHEMBL3304084 0.77 PDE2A (0.35) JAK2SYK
SCHEMBL3304420 0.72 MAPK8 (0.40) JAK2LRRK2JAK3SYKSRC
SCHEMBL3309009 0.72 JAK1 (0.38) KCNK3KCNK9JAK1
SCHEMBL3304688 0.71 JAK2 (0.38) JAK2JAK3SYKSRCGSK3A
SCHEMBL3303445 0.69 JAK2 (0.38) JAK2JAK3MAPK1
SCHEMBL3297722 0.69 JAK2 (0.37) JAK2LRRK2JAK3SYKSRC
SCHEMBL2144995 0.68 JAK2 (0.35) JAK2JAK3SYKSRCGSK3A
SCHEMBL2144987 0.68 JAK2 (0.35) JAK2JAK3MAPK14JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 26/4885LRRK2 98/4885KCNK3 1250/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885LRRK2 98/4885KCNK3 1250/4885

“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.