SCHEMBL3304752

SCHEMBL3304752

COc1cc(C(=O)c2nccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.41
SORT1 Q99523 1/20 0.40
JAK2 O60674 7/20 0.39
JAK3 P52333 4/20 0.39
PTK2 Q05397 4/20 0.39
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38
GSK3B P49841 4/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
JAK1 P23458 1/20 0.37
BRAF P15056 1/20 0.37
PLK1 P53350 1/20 0.36
CDK2 P24941 2/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
MAPK8 P45983 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL3307160 0.87 JAK2 (0.44) NR2E1SORT1JAK2JAK3PTK2
SCHEMBL3304489 0.79 JAK2 (0.40) JAK2JAK3JAK1GSK3A
SCHEMBL3299761 0.79 JAK2 (0.40) SORT1JAK2JAK3PTK2KCNH2
SCHEMBL3303987 0.78 JAK2 (0.41) SORT1JAK2JAK3PTK2KCNH2
SCHEMBL3302979 0.77 JAK2 (0.40) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3309116 0.76 JAK2 (0.44) JAK2JAK3PTK2KCNH2SCN9A
SCHEMBL3309436 0.76 JAK2 (0.39) SORT1JAK2JAK3PTK2KCNH2
SCHEMBL3309009 0.76 JAK1 (0.38) NR2E1GSK3BJAK1
SCHEMBL3305141 0.75 JAK2 (0.44) SORT1JAK2JAK3PTK2GSK3B
SCHEMBL3301300 0.75 JAK2 (0.45) SORT1JAK2JAK3PTK2GSK3B

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 NR2E1 1755/4885SORT1 4353/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NR2E1 1755/4885SORT1 4353/4885JAK2 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.