SCHEMBL3308945

SCHEMBL3308945

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
JAK2 O60674 4/20 0.40
CYP1A2 P05177 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
KIT P10721 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
AAK1 Q2M2I8 2/20 0.37
NPBWR1 P48145 2/20 0.37
KDR P35968 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
LCK P06239 1/20 0.35
MAPK14 Q16539 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
SCHEMBL3300821 0.86 JAK2 (0.45) SCN10AJAK2TRPV1
SCHEMBL3301200 0.85 BRAF (0.43) JAK2RAF1BRAFKITTRPV1
SCHEMBL3300358 0.84 JAK2 (0.39) JAK2RAF1BRAFKITTRPV1
SCHEMBL3308615 0.83 JAK2 (0.40) JAK2RAF1BRAFKITTRPV1
SCHEMBL14353910 0.83 CHEK2 (0.42) JAK2RAF1BRAFKITTRPV1
SCHEMBL3305593 0.83 JAK2 (0.41) JAK2RAF1BRAFKITTRPV1
SCHEMBL3308291 0.83 JAK2 (0.39) JAK2RAF1BRAFKITTRPV1
SCHEMBL3302581 0.82 JAK2 (0.43) JAK2RAF1BRAFKITTRPV1
SCHEMBL13392210 0.77 JAK2 (0.46) SCN10AJAK2
SCHEMBL14457165 0.77 JAK2 (0.51) JAK2CYP1A2

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 SCN10A 4711/4885JAK2 26/4885CYP1A2 654/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SCN10A 4711/4885JAK2 26/4885CYP1A2 654/4885

“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.