SCHEMBL3301223

SCHEMBL3301223

c1ccc(Nc2nc3ccnc(-c4ccccc4)n3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
PLK1 P53350 2/20 0.52
JAK2 O60674 8/20 0.48
JAK3 P52333 2/20 0.48
LRRK2 Q5S007 2/20 0.44
PRKCD Q05655 2/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44
NPC1 O15118 1/20 0.44
PDPK1 O15530 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
LYN P07948 1/20 0.44
MAPT P10636 1/20 0.44
KIT P10721 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL3306057 0.87 ADORA2A (0.46) KDRPLK1JAK2JAK3LRRK2
SCHEMBL3309507 0.87 JAK2 (0.49) KDRPLK1JAK2JAK3NPC1
SCHEMBL3304261 0.87 JAK2 (0.48) KDRPLK1JAK2JAK3LRRK2
SCHEMBL3304002 0.86 JAK2 (0.45) KDRPLK1JAK2JAK3LRRK2
SCHEMBL3306579 0.85 JAK2 (0.52) KDRPLK1JAK2JAK3LRRK2
SCHEMBL3305445 0.85 JAK2 (0.44) KDRPLK1JAK2JAK3PTK2
SCHEMBL3308762 0.83 JAK2 (0.62) KDRJAK2JAK3AURKAMAPT
SCHEMBL3303058 0.83 JAK2 (0.53) KDRPLK1JAK2JAK3LRRK2
SCHEMBL14353857 0.83 PLK1 (0.53) PLK1MAPTCDK2RAB9ACSNK2A1
SCHEMBL3303571 0.82 JAK2 (0.50) KDRPLK1JAK2JAK3LRRK2

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 KDR 1041/4885PLK1 321/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KDR 1041/4885PLK1 321/4885JAK2 26/4885

“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.