SCHEMBL23012016

SCHEMBL23012016

Fc1csc2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.56
CA2 P00918 1/20 0.45
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
IDO1 P14902 1/20 0.37
EPM2A O95278 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
HSP90AA1 P07900 1/20 0.35
DGAT1 O75907 1/20 0.34
MIF P14174 1/20 0.33
CXCR2 P25025 1/20 0.33
PRF1 P14222 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 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
SCHEMBL16693180 0.85 CYP2A6 (0.42) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL3164828 0.82 CYP2A6 (0.66) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL31009686 0.77 CYP2A6 (0.60) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL21954333 0.77 CYP2A6 (0.59) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL2090847 0.77 CYP2A6 (0.55) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL6808185 0.77 CYP2A6 (0.55) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL28571802 0.77 CYP2A6 (0.55) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL788066 0.77 CYP2A6 (0.60) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL13737283 0.76 CYP2A6 (0.50) CYP2A6CA2MAPTTP53HDAC10
SCHEMBL18935978 0.74 CYP2A6 (0.34) CYP2A6CA2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 US disclosed
CN-112409385-B Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2024-08-13 CN disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 US disclosed
EP-4019521-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-06-29 EP disclosed
WO-2021032004-A9 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-03-25 WO disclosed
CN-112409385-A Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2021-02-26 CN disclosed
WO-2021032004-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF 上海青煜医药科技有限公司 2021-02-25 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 CYP2A6 2124/4885CA2 3791/4885MAPT 2522/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 CYP2A6 495/4885CA2 2249/4885MAPT 4193/4885

“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.