SCHEMBL2144451

SCHEMBL2144451

C=CC(=O)NCc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KRAS P01116 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAP2K7 O14733 1/20 0.37
CA2 P00918 1/20 0.37
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 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
SCHEMBL11192228 0.84 TGM2 (0.48) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL2144158 0.79 TGM2 (0.40) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL16634568 0.79 TGM2 (0.46) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL4903618 0.77 TGM2 (0.61) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL28209898 0.76 TGM2 (0.59) TGM2MEN1KMT2AALDH1A1MAPT
SCHEMBL2858710 0.75 ALOX5 (0.47) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL14894255 0.75 TGM2 (0.51) TGM2MEN1KMT2AALDH1A1CRHBP
SCHEMBL30778324 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL7080073 0.75 PTPRC (0.41) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL3309721 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CRHBPCRHR2

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 TGM2 1123/4885MEN1 4152/4885KMT2A 569/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TGM2 1123/4885MEN1 4152/4885KMT2A 569/4885

“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.