SCHEMBL3305989

SCHEMBL3305989

c1ccc(Nc2nc3ccncn3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.64
JAK3 P52333 3/20 0.64
LRRK2 Q5S007 2/20 0.50
KCNH3 Q9ULD8 3/20 0.43
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
CHEK1 O14757 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
NPC1 O15118 1/20 0.40
PDPK1 O15530 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
KIT P10721 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR3 P22607 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL2640343 0.78 JAK2 (1.00) JAK2JAK3LRRK2MAPTMAPK1
SCHEMBL29941434 0.75 JAK2 (0.53) JAK2JAK3LRRK2MAPTMAPK1
SCHEMBL4064582 0.75 GLA (0.52) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL5317913 0.72 JAK2 (0.74) JAK2JAK3LRRK2MAPTMAPK1
SCHEMBL3191542 0.72 ALDH1A1 (0.41) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL3303571 0.70 JAK2 (0.50) JAK2JAK3LRRK2MAPTMAPK1
SCHEMBL3299822 0.70 SYK (0.40) JAK2JAK3MARK3
SCHEMBL7868892 0.69 CA2 (0.46) MAPTKMT2APOLB
SCHEMBL4544863 0.69 KCNH3 (0.70) KCNH3MAPTMAPK1CHEK1IKBKB
SCHEMBL2145823 0.69 JAK2 (0.58) JAK2JAK3

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

“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.