SCHEMBL3301200

SCHEMBL3301200

CC(=O)c1nc2ccc(-c3nccc4nc(Nc5ccc(C(F)(F)F)cc5)nn34)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.43
RAF1 P04049 2/20 0.43
JAK2 O60674 3/20 0.41
KIT P10721 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CHEK2 O96017 1/20 0.38
NPBWR1 P48145 1/20 0.37
KDR P35968 2/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LCK P06239 1/20 0.36
MAPK14 Q16539 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
SCHEMBL14353910 0.92 CHEK2 (0.42) BRAFRAF1JAK2KITHRH4
SCHEMBL3301043 0.86 JAK1 (0.48) JAK2TRPV1
SCHEMBL3308945 0.85 SCN10A (0.41) BRAFRAF1JAK2KITTRPV1
SCHEMBL3300358 0.85 JAK2 (0.39) BRAFRAF1JAK2KITTRPV1
SCHEMBL3308615 0.84 JAK2 (0.40) BRAFRAF1JAK2KITTRPV1
SCHEMBL3308291 0.83 JAK2 (0.39) BRAFRAF1JAK2KITTRPV1
SCHEMBL3305593 0.83 JAK2 (0.41) BRAFRAF1JAK2KITTRPV1
SCHEMBL3302581 0.83 JAK2 (0.43) BRAFRAF1JAK2KITTRPV1
SCHEMBL2143930 0.78 JAK2 (0.47) JAK2CHEK2
SCHEMBL3300957 0.77 JAK2 (0.50) JAK2KDRGSK3AGSK3B

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 BRAF 151/4885RAF1 152/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 BRAF 151/4885RAF1 152/4885JAK2 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.