SCHEMBL2145376

SCHEMBL2145376

COCc1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.80
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 5/20 0.68
MAPT P10636 5/20 0.68
LMNA P02545 2/20 0.68
RIPK1 Q13546 4/20 0.62
PKM P14618 2/20 0.62
TDP1 Q9NUW8 2/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPBWR1 P48145 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HTT P42858 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NFKB1 P19838 2/20 0.56
MAPK1 P28482 2/20 0.56

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
SCHEMBL3304619 0.89 KCNJ1 (0.63) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL29620259 0.89 KCNJ1 (1.00) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL6753969 0.84 KDM4E (0.79) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL7017514 0.83 KCNJ1 (0.70) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL9148418 0.83 KCNJ1 (0.55) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL18459774 0.82 MAPT (0.76) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL8601357 0.82 KDM4E (1.00) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL9642133 0.81 MAPT (1.00) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL18426060 0.81 MAPT (0.74) KCNJ1KDM4EALDH1A1MAPTLMNA
SCHEMBL521103 0.81 PKM (0.75) KCNJ1KDM4EALDH1A1MAPTLMNA

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
WO-2017017631-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2017-02-02 WO disclosed
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 KCNJ1 1640/4885KDM4E 1965/4885ALDH1A1 1694/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KCNJ1 1640/4885KDM4E 1965/4885ALDH1A1 1694/4885

“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.