SCHEMBL3304405

SCHEMBL3304405

c1ccc(Nc2nc3ccnc(-c4ccc5[nH]ncc5c4)n3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.50
KDR P35968 6/20 0.50
GSK3B P49841 5/20 0.50
CLK2 P49760 5/20 0.50
DYRK1A Q13627 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
DYRK3 O43781 4/20 0.50
CDK2 P24941 3/20 0.50
PIM1 P11309 3/20 0.50
AURKB Q96GD4 3/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
ROS1 P08922 2/20 0.50
RPS6KB1 P23443 2/20 0.50
GSK3A P49840 2/20 0.50
CSNK2A1 P68400 2/20 0.50
ROCK1 Q13464 2/20 0.50
ERBB4 Q15303 2/20 0.50
PKN2 Q16513 2/20 0.50
TAOK1 Q7L7X3 2/20 0.50

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
SCHEMBL2145233 0.83 JAK2 (0.49) ROCK2KDRGSK3BCLK2DYRK1A
SCHEMBL3309445 0.81 JAK2 (0.46) ROCK2KDRGSK3BCLK2DYRK1A
SCHEMBL3301223 0.80 KDR (0.52) KDRCDK2PIM1RPS6KB1CSNK2A1
SCHEMBL3306579 0.79 JAK2 (0.52) KDRFLT4JAK2FLT1JAK3
SCHEMBL3304261 0.78 JAK2 (0.48) KDRFLT4JAK2ABL1EGFR
SCHEMBL3304002 0.78 JAK2 (0.45) KDRJAK2JAK3PLK1
SCHEMBL3306759 0.77 JAK2 (0.42) KDRJAK2JAK3PLK1
SCHEMBL3306057 0.77 ADORA2A (0.46) KDRFLT4JAK2FLT1SYK
SCHEMBL3309507 0.77 JAK2 (0.49) KDRFLT4CDK5CDK5R1JAK2
SCHEMBL3300054 0.75 JAK2 (0.46) KDRJAK2PLK4JAK3PLK1

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 ROCK2 476/4885KDR 1041/4885GSK3B 852/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ROCK2 476/4885KDR 1041/4885GSK3B 852/4885

“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.