SCHEMBL3303571

SCHEMBL3303571

Brc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
JAK3 P52333 3/20 0.50
MAPT P10636 3/20 0.46
PRKCD Q05655 2/20 0.46
CDK2 P24941 2/20 0.46
MAPK1 P28482 2/20 0.46
AURKA O14965 2/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
NPC1 O15118 1/20 0.46
PDPK1 O15530 1/20 0.46
CHEK2 O96017 1/20 0.46
PRKCG P05129 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
KIT P10721 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR3 P22607 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL3301223 0.82 KDR (0.52) JAK2JAK3MAPTPRKCDCDK2
SCHEMBL3299809 0.81 JAK2 (0.45) JAK2JAK3CDK2AURKAIKBKB
SCHEMBL3303788 0.81 KCNH2 (0.45) JAK2CDK2IKBKBMEN1KMT2A
SCHEMBL3300153 0.80 JAK2 (0.46) JAK2JAK3MAPTPRKCDCDK2
SCHEMBL3300085 0.80 JAK2 (0.46) JAK2JAK3MAPTPRKCDCDK2
SCHEMBL3300064 0.80 AURKA (0.46) JAK2JAK3MAPTPRKCDCDK2
SCHEMBL3266110 0.79 JAK2 (0.55) JAK2JAK3MAPTMAPK1RAB9A
SCHEMBL3301726 0.79 MAPK8 (0.49) JAK2JAK3CDK2AURKAIKBKB
SCHEMBL3304954 0.79 JAK2 (0.44) JAK2JAK3MAPTPRKCDCDK2
SCHEMBL3303379 0.77 MKNK1 (0.47) JAK2JAK3CDK2PTK2

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 2 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-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 86/4885MAPT 1496/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885MAPT 1496/4885

“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.