SCHEMBL3306759

SCHEMBL3306759

ClCc1nc2cc(-c3nccc4nc(Nc5ccccc5)nn34)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.42
JAK3 P52333 2/20 0.37
LRRK2 Q5S007 2/20 0.36
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALK Q9UM73 2/20 0.33
KDR P35968 1/20 0.33
PLK1 P53350 1/20 0.33
ERN1 O75460 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL3301462 0.84 JAK2 (0.45) JAK2JAK3JAK1
SCHEMBL3308291 0.81 JAK2 (0.39) JAK2ABCB1KDR
SCHEMBL3304405 0.77 ROCK2 (0.50) JAK2JAK3KDRPLK1
SCHEMBL3301223 0.76 KDR (0.52) JAK2JAK3LRRK2MAPTATM
SCHEMBL3309445 0.75 JAK2 (0.46) JAK2JAK3LRRK2KDRJAK1
SCHEMBL3306579 0.75 JAK2 (0.52) JAK2JAK3LRRK2ALKKDR
SCHEMBL3304261 0.74 JAK2 (0.48) JAK2JAK3LRRK2KDRPLK1
SCHEMBL3304002 0.74 JAK2 (0.45) JAK2JAK3LRRK2KDRPLK1
SCHEMBL3300054 0.74 JAK2 (0.46) JAK2JAK3LRRK2ALKKDR
SCHEMBL3302321 0.74 JAK2 (0.42) JAK2JAK3LRRK2KDRPLK1

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.