SCHEMBL12067017

SCHEMBL12067017

c1coc(-c2nncc3cn[nH]c23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
ADORA1 P30542 7/20 0.50
POLB P06746 5/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 4/20 0.47
ALOX15 P16050 4/20 0.47
BLM P54132 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
PTPN7 P35236 3/20 0.47
RECQL P46063 3/20 0.47
PKM P14618 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL12067012 0.74 ADORA2A (0.49) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL30180856 0.72 KDM4E (0.52) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL12067032 0.72 NT5E (0.38) ADORA2AADORA1MAPT
SCHEMBL12069748 0.72 POLB (0.39) ADORA2AADORA1POLBMAPTMEN1
SCHEMBL12067035 0.72 PDE10A (0.41) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL12067030 0.70 ADORA2A (0.41) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL28465630 0.69 TDP1 (0.54) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL4459534 0.67 ADORA2A (1.00) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL2114343 0.67 MAPT (1.00) ADORA2AADORA1POLBMAPTALDH1A1
SCHEMBL18583293 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 US disclosed
WO-2011156889-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2011-12-22 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-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 ADORA2A 4278/4885ADORA1 4677/4885POLB 3935/4885
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 ADORA2A 4278/4885ADORA1 4677/4885POLB 3935/4885

“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.