SCHEMBL21634877

SCHEMBL21634877

COc1ncc(Br)c(C)c1Br

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
TSHR P16473 1/20 0.30
ULK1 O75385 1/20 0.30
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL13674949 0.84 GAA (0.33) GAAHTTRECQLMAPTCASP1
SCHEMBL27897072 0.81 KMT2A (0.37) HTTRECQLMAPTCASP1NQO2
SCHEMBL27955259 0.81 CA2 (0.34) GAAHTTRECQLCA2CA4
SCHEMBL16926925 0.79 GAA (0.31) GAAHTTRECQL
SCHEMBL790816 0.79 MAPT (0.36) GAAHTTRECQLMAPTCASP1
SCHEMBL19783692 0.79 ULK1 (0.37) GAAHTTRECQLULK1AURKA
SCHEMBL31342297 0.79 ULK1 (0.37) GAAHTTRECQLULK1AURKA
SCHEMBL14853132 0.79 PIK3CA (0.34) HTTRECQLAURKA
SCHEMBL676712 0.79 DAO (0.33) TSHR
SCHEMBL22448808 0.77 ALOX5 (0.35) GAACA2CA4MAPTCASP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229202-B Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2024-01-26 CN claimed
CN-117229202-A Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2023-12-15 CN claimed
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-117229202-B Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2024-01-26 CN disclosed
CN-117229202-B Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2024-01-26 CN disclosed
CN-117229202-A Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2023-12-15 CN disclosed
CN-117229202-A Preparation method of intermediate of BRD9 targeted degradation compound 苏州美诺医药科技有限公司 2023-12-15 CN disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
EP-3826722-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
CN-112601584-A Isoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-04-02 CN disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020023560-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG 2020-01-30 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 (3 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 GAA 2718/4885HTT 2968/4885RECQL 272/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 GAA 2586/4885HTT 3690/4885RECQL 370/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 GAA 2586/4885HTT 3690/4885RECQL 370/4885

“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.