SCHEMBL3300358

SCHEMBL3300358

OCc1nc2ccc(-c3nccc4nc(Nc5ccc(C(F)(F)F)cc5)nn34)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.39
ABCB1 P08183 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
KIT P10721 2/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NPBWR1 P48145 1/20 0.36
DGAT1 O75907 2/20 0.35
KCNH2 Q12809 2/20 0.35
MAOB P27338 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL3308291 0.91 JAK2 (0.39) JAK2ABCB1RAF1BRAFKDR
SCHEMBL3302581 0.89 JAK2 (0.43) JAK2ABCB1RAF1BRAFKDR
SCHEMBL3304332 0.86 JAK2 (0.44) JAK2ABCB1TRPV1
SCHEMBL3301200 0.85 BRAF (0.43) JAK2RAF1BRAFKDRTRPV1
SCHEMBL3308615 0.85 JAK2 (0.40) JAK2RAF1BRAFKDRTRPV1
SCHEMBL14353910 0.84 CHEK2 (0.42) JAK2RAF1BRAFKDRTRPV1
SCHEMBL3308945 0.84 SCN10A (0.41) JAK2RAF1BRAFKDRTRPV1
SCHEMBL3305593 0.84 JAK2 (0.41) JAK2RAF1BRAFKDRTRPV1
SCHEMBL3303707 0.78 JAK2 (0.43) JAK2ABCB1TRPV1
SCHEMBL3300957 0.77 JAK2 (0.50) JAK2KDRKCNH2

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 26/4885ABCB1 740/4885RAF1 152/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885ABCB1 740/4885RAF1 152/4885

“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.