SCHEMBL3302102

SCHEMBL3302102

COc1cc(-c2nccc3nc(Nc4ccc5c(c4)NC(=O)C5(C)C)nn23)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.47
MAPK14 Q16539 2/20 0.40
LCK P06239 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.38
SYK P43405 2/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
SRC P12931 1/20 0.34
GSK3A P49840 1/20 0.34
IGF1R P08069 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
JAK1 P23458 2/20 0.33
CRBN Q96SW2 1/20 0.33
TUBB4A P04350 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
SCHEMBL2144960 0.88 JAK2 (0.49) JAK2JAK3JAK1
SCHEMBL3301308 0.81 LCK (0.42) JAK2MAPK14LCKBRAFKDR
SCHEMBL3303058 0.78 JAK2 (0.53) JAK2KDRJAK3LRRK2
SCHEMBL3303570 0.78 JAK2 (0.41) JAK2JAK3SYKJAK1TBK1
SCHEMBL2145136 0.76 JAK2 (0.39) JAK2MAPK14LCKBRAFKDR
SCHEMBL3304641 0.75 MAPK14 (0.39) JAK2MAPK14LCKBRAFKDR
SCHEMBL3305581 0.73 JAK2 (0.38) JAK2MAPK14LCKBRAFKDR
SCHEMBL3299822 0.73 SYK (0.40) JAK2MAPK14LCKBRAFKDR
SCHEMBL3302942 0.72 SYK (0.42) JAK2MAPK14LCKBRAFKDR
SCHEMBL3305434 0.72 JAK2 (0.37) JAK2MAPK14LCKBRAFKDR

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 26/4885MAPK14 391/4885LCK 59/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885MAPK14 391/4885LCK 59/4885

“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.