SCHEMBL3304787

SCHEMBL3304787

CC(=O)Nc1nccc2nc(Nc3ccccc3)nn12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
JAK3 P52333 3/20 0.50
JAK1 P23458 1/20 0.48
KIT P10721 2/20 0.46
FLT3 P36888 2/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CSNK2A1 P68400 2/20 0.43
AURKA O14965 1/20 0.41
PIK3CA P42336 1/20 0.41
PLK1 P53350 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DDX3X O00571 1/20 0.40
PTK2 Q05397 1/20 0.40
EGLN2 Q96KS0 1/20 0.40

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
SCHEMBL3303779 0.87 ALDH1A1 (0.47) JAK2JAK3JAK1POLBMAPT
SCHEMBL2144688 0.80 JAK1 (0.56) JAK2JAK3JAK1KITFLT3
SCHEMBL3300064 0.79 AURKA (0.46) JAK2JAK3JAK1KITMAPT
SCHEMBL3303549 0.76 NUDT1 (0.38) JAK2JAK3JAK1KITFLT3
SCHEMBL2144825 0.76 JAK1 (0.80) JAK2JAK3JAK1POLBMAPT
SCHEMBL3303571 0.76 JAK2 (0.50) JAK2JAK3KITMAPTCSNK2A1
SCHEMBL2145631 0.75 JAK1 (0.65) JAK2JAK3JAK1PTK2EGLN2
SCHEMBL3300159 0.74 JAK2 (0.40) JAK2JAK3JAK1AURKAPTK2
SCHEMBL3308862 0.74 JAK2 (0.40) JAK2JAK3JAK1AURKAPTK2
SCHEMBL3300085 0.74 JAK2 (0.46) JAK2JAK3KITMAPTCSNK2A1

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 86/4885JAK1 69/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885JAK1 69/4885

“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.