SCHEMBL3300153

SCHEMBL3300153

N#Cc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
AURKA O14965 2/20 0.44
HTT P42858 1/20 0.44
CSNK2A1 P68400 3/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
NPC1 O15118 1/20 0.42
PDPK1 O15530 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
MAPT P10636 1/20 0.42
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR3 P22607 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL3303571 0.80 JAK2 (0.50) JAK2JAK3AURKACSNK2A1CHEK1
SCHEMBL3303358 0.78 JAK2 (0.41) JAK2JAK3AURKAHTTCSNK2A1
SCHEMBL3301223 0.77 KDR (0.52) JAK2JAK3AURKACSNK2A1CHEK1
SCHEMBL3305634 0.77 JAK2 (0.51) JAK2JAK3CSNK2A1ADORA2AADORA1
SCHEMBL3305987 0.76 JAK2 (0.39) JAK2JAK3AURKAHTTCSNK2A1
SCHEMBL3297794 0.75 JAK2 (0.39) JAK2JAK3AURKAHTTCSNK2A1
SCHEMBL3300064 0.75 AURKA (0.46) JAK2JAK3AURKACSNK2A1CHEK1
SCHEMBL3300085 0.75 JAK2 (0.46) JAK2JAK3AURKACSNK2A1CHEK1
SCHEMBL3308589 0.75 EGLN2 (0.46) JAK2AURKACSNK2A1CDK1ADORA2A
SCHEMBL3304954 0.74 JAK2 (0.44) JAK2JAK3AURKACSNK2A1CHEK1

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 86/4885AURKA 545/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885AURKA 545/4885

“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.