SCHEMBL3305987

SCHEMBL3305987

N#CCCCc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.39
JAK3 P52333 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MET P08581 1/20 0.38
TSHR P16473 4/20 0.36
MEN1 O00255 3/20 0.36
USP2 O75604 3/20 0.36
CASP1 P29466 3/20 0.36
KMT2A Q03164 3/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
STAT3 P40763 1/20 0.36
AURKA O14965 2/20 0.36
CASP7 P55210 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BRCA1 P38398 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 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
SCHEMBL3301334 0.83 JAK2 (0.44) JAK2JAK3CYP1A2CYP3A4HSD17B10
SCHEMBL3304158 0.83 JAK2 (0.41) JAK2JAK3METMEN1KMT2A
SCHEMBL3304954 0.78 JAK2 (0.44) JAK2JAK3METAURKAMAPK1
SCHEMBL3300153 0.76 JAK2 (0.46) JAK2JAK3METTSHRAURKA
SCHEMBL3305825 0.74 JAK2 (0.42) JAK2JAK3METAURKAMAPK1
SCHEMBL3304370 0.74 JAK2 (0.39) JAK2JAK3METAURKAGAA
SCHEMBL3297794 0.74 JAK2 (0.39) JAK2JAK3CYP1A2CYP3A4HSD17B10
SCHEMBL3308862 0.74 JAK2 (0.40) JAK2JAK3METJAK1AURKA
SCHEMBL3300159 0.74 JAK2 (0.40) JAK2JAK3METJAK1AURKA
SCHEMBL3303571 0.73 JAK2 (0.50) JAK2JAK3MEN1KMT2AAURKA

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 2 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-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 26/4885JAK3 86/4885CYP1A2 654/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885CYP1A2 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.