SCHEMBL3306579

SCHEMBL3306579

Nc1ccc(-c2nccc3nc(Nc4ccccc4)nn23)cc1N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.52
LRRK2 Q5S007 2/20 0.43
JAK3 P52333 2/20 0.40
KDR P35968 2/20 0.39
PLK1 P53350 1/20 0.39
IKBKB O14920 1/20 0.38
ALK Q9UM73 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL3309507 0.86 JAK2 (0.49) JAK2JAK3KDRPLK1FLT1
SCHEMBL3300957 0.85 JAK2 (0.50) JAK2JAK3KDRPLK1IKBKB
SCHEMBL3306130 0.85 JAK2 (0.46) JAK2LRRK2JAK3PLK1IKBKB
SCHEMBL3301223 0.85 KDR (0.52) JAK2LRRK2JAK3KDRPLK1
SCHEMBL3300054 0.84 JAK2 (0.46) JAK2LRRK2JAK3KDRPLK1
SCHEMBL3304261 0.83 JAK2 (0.48) JAK2LRRK2JAK3KDRPLK1
SCHEMBL3304002 0.82 JAK2 (0.45) JAK2LRRK2JAK3KDRPLK1
SCHEMBL3309445 0.82 JAK2 (0.46) JAK2LRRK2JAK3KDRFLT4
SCHEMBL3306057 0.81 ADORA2A (0.46) JAK2LRRK2JAK3KDRPLK1
SCHEMBL3304308 0.81 JAK2 (0.43) JAK2LRRK2JAK3KDRPLK1

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 98/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885LRRK2 98/4885JAK3 86/4885

“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.