SCHEMBL17875686

SCHEMBL17875686

Brc1cc(Br)c2cn[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 13/20 0.66
IDO1 P14902 12/20 0.66
NOS1 P29475 3/20 0.53
AXL P30530 1/20 0.53
PTPN6 P29350 1/20 0.49
DYRK1A Q13627 2/20 0.48
METAP2 P50579 2/20 0.48
CSNK2A1 P68400 1/20 0.44
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1318814 0.83 TDO2 (0.61) TDO2IDO1NOS1AXLDYRK1A
SCHEMBL29397622 0.83 TDO2 (0.61) TDO2IDO1NOS1AXLDYRK1A
SCHEMBL20176611 0.79 NOS1 (0.50) TDO2IDO1NOS1AXLPTPN6
SCHEMBL31642655 0.79 NOS1 (0.50) TDO2IDO1NOS1AXLPTPN6
SCHEMBL29793852 0.79 METAP2 (0.53) TDO2IDO1NOS1AXLPTPN6
SCHEMBL2007139 0.79 IDO1 (0.59) TDO2IDO1NOS1AXLPTPN6
SCHEMBL2003535 0.79 METAP2 (0.53) TDO2IDO1NOS1AXLPTPN6
SCHEMBL1415060 0.79 NOS1 (0.50) TDO2IDO1NOS1AXLPTPN6
SCHEMBL31217417 0.79 IDO1 (0.56) TDO2IDO1NOS1AXLPTPN6
SCHEMBL29793841 0.79 IDO1 (0.59) TDO2IDO1NOS1AXLPTPN6

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
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 TDO2 3967/4885IDO1 1725/4885NOS1 4755/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 TDO2 3967/4885IDO1 1725/4885NOS1 4755/4885

“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.