SCHEMBL21591678

SCHEMBL21591678

Cn1c(=O)cc(Br)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.50
ELANE P08246 1/20 0.43
TNKS O95271 1/20 0.43
KMT2A Q03164 2/20 0.41
PDE4A P27815 2/20 0.40
KDM4E B2RXH2 3/20 0.40
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM4 Q14833 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NQO2 P16083 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL25703950 0.81 NQO2 (0.54) FEN1TNKSKMT2AKDM4EHTT
SCHEMBL829613 0.80 TNKS (0.52) FEN1ELANETNKSKMT2AKDM4E
SCHEMBL5871967 0.80 FEN1 (0.54) FEN1TNKSKMT2AKDM4EHTT
SCHEMBL23410326 0.80 KDM4E (0.44) FEN1ELANEKMT2APDE4AKDM4E
SCHEMBL13923062 0.78 FEN1 (0.48) FEN1TNKSKMT2AKDM4ETP53
SCHEMBL21593928 0.78 FEN1 (0.48) FEN1TNKSKMT2APDE4AKDM4E
SCHEMBL829969 0.77 FEN1 (0.42) FEN1TNKSKMT2APDE4AMEN1
SCHEMBL8693905 0.77 PDE4A (0.45) FEN1TNKSKMT2APDE4AKDM4E
SCHEMBL8696587 0.76 HSD17B10 (0.60) FEN1TNKSPDE4AGRM4EGFR
SCHEMBL8695674 0.74 BRD4 (0.48) FEN1TNKSPDE4AKDM4EGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728988-B Spiro (isobenzofuran azetidine) compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-12-10 CN disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20230002415-A1 SPIRO(ISOBENZOFURANAZETIDINE) COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-05 US disclosed
CN-114728988-A Spiro (isobenzofuran azetidine) compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 FEN1 3818/4885ELANE 572/4885TNKS 3488/4885
US-20230002415-A1 SPIRO(ISOBENZOFURANAZETIDINE) COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE REN, PKD2, PKD1 FEN1 4160/4885ELANE 1448/4885TNKS 3887/4885

“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.