SCHEMBL21628356

SCHEMBL21628356

CCOC(=O)c1cc(Br)n(-c2ccc(C)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CA9 Q16790 2/20 0.58
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
CHRNA7 P36544 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL14357202 0.83 CA9 (0.61) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL9979716 0.81 CNR1 (0.61) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL28248773 0.81 SMN1; SMN2 (0.58) ALDH1A1KMT2ATDP1POLBSMN1; SMN2
SCHEMBL18865871 0.81 KMT2A (0.52) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL18542682 0.80 KMT2A (0.54) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL15520448 0.78 ALDH1A1 (0.60) MAPTCA9ALDH1A1KMT2ARAB9A
SCHEMBL22122122 0.77 KMT2A (0.58) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL9203290 0.77 CA9 (0.76) MAPTCA9ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9203679 0.77 CHRNA7 (0.77) MAPTCA9KMT2ASMN1; SMN2CHRNA7
SCHEMBL3702377 0.76 NPSR1 (0.59) MAPTALDH1A1KMT2AGAARAB9A

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 MAPT 2149/4885CA9 2400/4885ALDH1A1 3885/4885
US-11078188-B2 Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and use thereof BRD4, BRPF3, BRD1 MAPT 2149/4885CA9 2400/4885ALDH1A1 3885/4885

“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.