SCHEMBL2144236

SCHEMBL2144236

O=C(O)N1Cc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
CASP1 P29466 2/20 0.42
CASP3 P42574 2/20 0.42
CASP4 P49662 2/20 0.42
CASP7 P55210 2/20 0.42
CASP9 P55211 2/20 0.42
CASP6 P55212 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 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
SCHEMBL2144223 1.00 CA9 (0.46) CA9CA12PTPRCS100A4CASP1
SCHEMBL3304577 0.80 MAPT (0.47) CA9CA12PTPRCS100A4CASP1
SCHEMBL5298639 0.77 CASP1 (0.53) CA9PTPRCS100A4CASP1CASP3
SCHEMBL25597205 0.77 PTPRC (0.47) CA9CA12PTPRCS100A4CASP1
SCHEMBL18586593 0.76 CRBN (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5998070 0.76 DPP7 (0.38) CA9CA12CASP1CASP3CASP4
SCHEMBL3304740 0.75 ALDH1A1 (0.53) CASP1CASP7ALDH1A1CYP3A4TDP1
SCHEMBL5998428 0.74 DPP7 (0.41) ALDH1A1TDP1MAPTMEN1LMNA
SCHEMBL1951457 0.73 CYP1A2 (0.46) PTPRCS100A4CASP1CASP3CASP4
SCHEMBL5247543 0.73 ACHE (0.46) CA9CA12TDP1MAPTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
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
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO 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 CA9 4810/4885CA12 4880/4885PTPRC 1372/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CA9 4810/4885CA12 4880/4885PTPRC 1372/4885

“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.