SCHEMBL3303779

SCHEMBL3303779

CC(C)C(=O)Nc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ADORA1 P30542 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
JAK2 O60674 8/20 0.40
JAK3 P52333 3/20 0.40
GSK3B P49841 1/20 0.39
JAK1 P23458 1/20 0.39
NOS1 P29475 1/20 0.39
ADORA2A P29274 1/20 0.39
OGG1 O15527 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL3304787 0.87 JAK2 (0.50) MAPTRXFP1JAK2JAK3JAK1
SCHEMBL2144112 0.81 ALDH1A1 (0.49) ALDH1A1MEN1MAPTKMT2ARXFP1
SCHEMBL3300064 0.76 AURKA (0.46) MAPTNPC1RAB9AJAK2JAK3
SCHEMBL3308862 0.76 JAK2 (0.40) JAK2JAK3JAK1PTK2AURKA
SCHEMBL3300159 0.76 JAK2 (0.40) JAK2JAK3JAK1PTK2AURKA
SCHEMBL3303574 0.74 JAK2 (0.39) JAK2JAK3JAK1PTK2AURKA
SCHEMBL3304401 0.73 JAK2 (0.41) JAK2JAK3JAK1PTK2
SCHEMBL3303571 0.73 JAK2 (0.50) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL3305825 0.72 JAK2 (0.42) MAPTNPC1RAB9AJAK2JAK3
SCHEMBL3302646 0.71 JAK2 (0.45) JAK2JAK3JAK1PTK2

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 ALDH1A1 1694/4885MEN1 4152/4885MAPT 1496/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885MEN1 4152/4885MAPT 1496/4885

“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.