SCHEMBL21628359

SCHEMBL21628359

CCOC(=O)c1nc(Br)n(-c2ccc(C)cc2C)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL29483962 1.00 KMT2A (0.46) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL21628364 0.82 KMT2A (0.60) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL22319649 0.78 PDE4B (0.59) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL21628361 0.76 ADORA2A (0.67) KMT2AADORA2AADORA1L3MBTL1HTT
SCHEMBL21628357 0.76 KMT2A (0.50) KMT2AADORA2AADORA1L3MBTL1HTT
SCHEMBL21628363 0.74 KMT2A (0.76) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL28729368 0.74 KDM4E (0.55) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL28729939 0.74 KMT2A (0.57) KMT2AADORA3ADORA2AADORA1L3MBTL1
SCHEMBL22319584 0.73 ADORA2A (0.50) KMT2AADORA2AADORA1L3MBTL1HTT
SCHEMBL2070675 0.72 GABRG2 (0.46) KMT2ALMNATP53THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276333-B Dihydroquinoxaline bromodomain bivalent inhibitors 中国科学院上海药物研究所 2023-05-09 CN disclosed
CN-114276333-A Dihydroquinoxalines bromodomain bivalent inhibitors 中国科学院上海药物研究所 2022-04-05 CN disclosed
CN-108570038-B Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and application thereof 中国科学院上海药物研究所 2021-09-28 CN disclosed
US-11078188-B2 Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-03 US disclosed
US-20200031802-A1 DIHYDROQUINOXALINE BROMODOMAIN RECOGNITION PROTEIN INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-01-30 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-20200031802-A1 DIHYDROQUINOXALINE BROMODOMAIN RECOGNITION PROTEIN INHIBITOR, PREPARATION METHOD AND USE THEREOF BRD4, BRPF3, BRD1 KMT2A 1541/4885ADORA3 4282/4885ADORA2A 4186/4885
US-11078188-B2 Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof BRD4, BRPF3, BRD1 KMT2A 1541/4885ADORA3 4282/4885ADORA2A 4186/4885

“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.