SCHEMBL15825403

SCHEMBL15825403

C[C@@H]1C(=O)Nc2ccc(Br)cc2N1C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
LRRK2 Q5S007 1/20 0.38
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
BACE1 P56817 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.32

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
SCHEMBL23662296 0.91 BRD4 (0.52) BRD4LMNAPKMGABRA1GABRA5
SCHEMBL15825941 0.88 BRD4 (0.47) BRD4LRRK2LMNAPKMGABRA1
SCHEMBL15825879 0.87 BRD4 (0.47) BRD4LRRK2LMNAPKMGABRA1
SCHEMBL16371457 0.81 BRD4 (0.42) BRD4LMNAPKMGABRA1GABRA5
SCHEMBL16385133 0.77 LRRK2 (0.34) BRD4LRRK2BACE1CYP3A4CYP2C9
SCHEMBL21261331 0.77 BRD4 (0.36) BRD4BACE1
SCHEMBL21261405 0.77 BRD4 (0.36) BRD4BACE1
SCHEMBL17841098 0.76 FPR2 (0.44) BRD4BACE1MAPTTP53KDM4E
SCHEMBL15826635 0.76 BRD4 (0.48) BRD4
SCHEMBL17373268 0.76 BRD4 (0.39) BRD4LRRK2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20150344444-A1 BET-PROTEIN-INHIBITING DIHYDROXYQUINOXALINONES Bayer Pharma AG (DE) 2015-12-03 US disclosed
US-20150344444-A1 BET-PROTEIN-INHIBITING DIHYDROXYQUINOXALINONES Bayer Pharma AG (DE) 2015-12-03 US disclosed
EP-2935261-A1 BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES Bayer Pharma Aktiengesellschaft (DE) 2015-10-28 EP disclosed
WO-2014095775-A1 BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-26 WO disclosed
WO-2014095775-A1 BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-26 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-20150344444-A1 BET-PROTEIN-INHIBITING DIHYDROXYQUINOXALINONES BRD4, BET1, BRDT BRD4 1/4885LRRK2 533/4885LMNA 979/4885
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 BRD4 1/4885LRRK2 565/4885LMNA 1083/4885

“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.