SCHEMBL21628357

SCHEMBL21628357

CCOC(=O)c1nc(Br)n(-c2ccc(C)c(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL22319584 0.83 ADORA2A (0.50) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL21628364 0.82 KMT2A (0.60) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL28729368 0.82 KDM4E (0.55) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL21628363 0.80 KMT2A (0.76) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL21628361 0.80 ADORA2A (0.67) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL28729939 0.80 KMT2A (0.57) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL29483962 0.76 KMT2A (0.46) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL21628359 0.76 KMT2A (0.46) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL20788191 0.72 KMT2A (0.76) KMT2AHTTL3MBTL1ADORA2AADORA1
SCHEMBL15760229 0.72 KMT2A (0.76) KMT2AHTTL3MBTL1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1541/4885HTT 4013/4885L3MBTL1 3971/4885
US-11078188-B2 Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof BRD4, BRPF3, BRD1 KMT2A 1541/4885HTT 4013/4885L3MBTL1 3971/4885

“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.