SCHEMBL2145172

SCHEMBL2145172

O=[N+]([O-])c1ccc(-c2ncn(C3CCCCO3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 6/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
XDH P47989 1/20 0.35
SLC18A3 Q16572 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2144561 0.81 ALDH1A1 (0.36) HPGDMAPTPOLBKMT2AALDH1A1
SCHEMBL17941589 0.79 MAPT (0.41) CYP1A2HPGDMAPTPOLBNPSR1
SCHEMBL16058813 0.75 PTGS2 (0.46) CYP1A2HPGDMAPTPOLBNPSR1
SCHEMBL26934136 0.73 MAPT (0.35) CYP1A2MAPTPOLBRXFP1KMT2A
SCHEMBL482277 0.73 CYP4F2 (0.36) KMT2AMEN1CD274NPC1RAB9A
SCHEMBL22449803 0.72 AHR (0.35) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL1141432 0.71 RAB9A (0.44) CYP1A2HPGDMAPTPOLBKMT2A
SCHEMBL20605098 0.70 SRC (0.44) CD274
SCHEMBL20828439 0.70 MAPT (0.43) CYP1A2HPGDMAPTPOLBNPSR1
SCHEMBL15528370 0.70 KDM5B (0.39) CYP1A2HPGDMAPTPOLBKMT2A

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 CYP1A2 654/4885HPGD 1179/4885MAPT 1496/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CYP1A2 654/4885HPGD 1179/4885MAPT 1496/4885

“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.