SCHEMBL16896940

SCHEMBL16896940

COc1cc2[nH]c(=O)cc(C)c2cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.57
GRIN3B O60391 2/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2B Q13224 2/20 0.57
GRIN2C Q14957 2/20 0.57
GRIN3A Q8TCU5 2/20 0.57
TNKS2 Q9H2K2 2/20 0.54
KDM4E B2RXH2 3/20 0.53
NQO2 P16083 6/20 0.50
CYP19A1 P11511 4/20 0.50
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
HIF1A Q16665 1/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL19146396 0.86 NQO2 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1071770 0.84 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19448885 0.80 KDM4E (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1772828 0.80 AR (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26607699 0.80 KDM4E (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4256786 0.80 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31609245 0.80 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18329406 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16432314 0.79 IMPDH2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17509887 0.77 KDM4E (0.50) TNKS2KDM4EPGRARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 EP disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2017-10-12 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 EP disclosed
WO-2016034512-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS UCL BUSINESS PLC (GB) 2016-03-10 WO disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 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 (5 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 GRIN2D 2363/4885GRIN3B 3969/4885GRIN1 1977/4885
US-20170291875-A1 QUINOLONES AS INHIBITORS OF CLASS IV BROMODOMAIN PROTEINS BRD4, BRPF3, BRD3 GRIN2D 2918/4885GRIN3B 2320/4885GRIN1 3213/4885

“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.