SCHEMBL2144155

SCHEMBL2144155

C=C(C)C(=O)Nc1cc([N+](=O)[O-])cc(C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 5/20 0.41
AKR1B1 P15121 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.39
DDX3X O00571 1/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17685414 0.85 ALDH1A1 (0.34) ALDH1A1KMT2AHTTAKR1B1GAA
SCHEMBL27631193 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AHTTAKR1B1GAA
SCHEMBL2767301 0.80 HTT (0.63) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL30661616 0.79 KMT2A (0.47) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL2144447 0.79 KMT2A (0.47) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL4203555 0.76 NPC1 (0.41) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL14546144 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL2659395 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AHTTSMN1; SMN2MEN1
SCHEMBL9299762 0.72 KMT2A (0.45) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL9445618 0.70 SMN1; SMN2 (0.51) ALDH1A1KMT2AHTTGAASMN1; SMN2

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 7 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
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN 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 ALDH1A1 1694/4885KMT2A 569/4885HTT 1602/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ALDH1A1 1694/4885KMT2A 569/4885HTT 1602/4885

“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.