SCHEMBL1612786

SCHEMBL1612786

NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
TSHR P16473 5/20 0.66
HSD17B10 Q99714 4/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 3/20 0.66
HPGD P15428 2/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
MAPT P10636 4/20 0.61
CASP1 P29466 3/20 0.61
CASP7 P55210 3/20 0.61
USP2 O75604 3/20 0.61
NPC1 O15118 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HCRTR1 O43613 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 4/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
ALOX15 P16050 2/20 0.58

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
SCHEMBL1611193 0.88 ALDH1A1 (0.59) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL1611668 0.87 KMT2A (0.71) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL3322075 0.77 KDM4E (0.68) KDM4EHPGDMAPTPOLBLMNA
SCHEMBL15289657 0.77 TSHR (0.72) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL9706282 0.77 TSHR (0.72) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL1614791 0.77 ALDH1A1 (0.72) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL5524713 0.76 MAPT (1.00) KMT2ATSHRHSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9436868 0.76 TSHR (0.70) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL10028469 0.75 TSHR (0.60) KMT2ATSHRHSD17B10ALDH1A1KDM4E
SCHEMBL9706178 0.75 TSHR (0.68) KMT2ATSHRHSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756111-B1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-03-31 EP claimed
US-20100009999-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-01-14 US claimed
JP-2008502676-A 2008-01-31 JP claimed
EP-1756111-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES Oxypharma AB (SE) 2007-02-28 EP claimed
US-20050288296-A1 Alkyl substituted indoloquinoxalines CYXONE AB, 559020-5471 (SE) 2005-12-29 US claimed
WO-2005123741-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2005-12-29 WO claimed
US-8084453-B2 Alkyl substituted indoloquinoxalines OXYPHARMA AB (SE) 2011-12-27 US disclosed
US-20110086859-A9 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2011-04-14 US disclosed
EP-1756111-B1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-03-31 EP disclosed
US-20100009999-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-01-14 US disclosed
US-7589093-B2 2,3-Dimethylindolo[2,3-b]quinoxaline-6-yl-acetamide; 9-Chloro-2,3-dimethyl-6-(aminoethylamino-2-oxoethyl)-6H-indolo[2,3-b]quinoxaline; autoimmune diseases OXYPHARMA AB (SE) 2009-09-15 US disclosed
EP-1756111-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES Oxypharma AB (SE) 2007-02-28 EP disclosed
US-20050288296-A1 Alkyl substituted indoloquinoxalines CYXONE AB, 559020-5471 (SE) 2005-12-29 US disclosed
WO-2005123741-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2005-12-29 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 (3 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-20110086859-A9 ALKYL SUBSTITUTED INDOLOQUINOXALINES HRH4, HRH3, NR4A1 KMT2A 1482/4885TSHR 32/4885HSD17B10 1388/4885
US-20100009999-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES HRH4, HRH3, NR4A1 KMT2A 1482/4885TSHR 32/4885HSD17B10 1388/4885
US-20050288296-A1 Alkyl substituted indoloquinoxalines HRH4, HRH3, NR4A1 KMT2A 1482/4885TSHR 32/4885HSD17B10 1388/4885

“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.