Sugi Predict

Sugi Predict / Compounds / SCHEMBL4976345

SCHEMBL4976345

SCHEMBL4976345

O=C(O)c1ncc(Br)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DYRK1B Q9Y463 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PKM P14618 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL617721 0.81 KDM4E (0.44) ALDH1A1KDM4EHCAR2POLBAKR1C4
SCHEMBL362686 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHCAR2POLBHTT
SCHEMBL22770825 0.81 HTT (0.43) ALDH1A1KDM4EHCAR2POLBHTT
SCHEMBL31527392 0.81 HCAR2 (0.48) ALDH1A1KDM4EHCAR2POLBKMT2A
SCHEMBL28345746 0.81 HCAR2 (0.48) ALDH1A1KDM4EHCAR2POLBKMT2A
SCHEMBL31555015 0.79 HCAR2 (0.42) ALDH1A1KDM4EHCAR2POLBKMT2A
SCHEMBL29851877 0.79 KDM4E (0.34) ALDH1A1KDM4EHCAR2POLBAKR1C4
SCHEMBL16634502 0.79 HCAR2 (0.42) ALDH1A1KDM4EHCAR2POLBSMN1; SMN2
SCHEMBL28841055 0.79 KDM4E (0.34) ALDH1A1KDM4EHCAR2POLBAKR1C4
SCHEMBL14555730 0.79 HCAR2 (0.42) ALDH1A1KDM4EHCAR2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 — — US disclosed
CN-111253397-B MNK inhibitors 上海迪诺医药科技有限公司 2023-11-14 — — CN disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 — — US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 — — US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 — — US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 — — EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 — — CN disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 — — US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 — — US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 — — US disclosed
CN-1657523-A Cyclic compounds TANABE SEIYAKU CO (JP) 2005-08-24 — — CN disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 — — US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 — — US disclosed
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands NEUROGEN CORPORATION 2003-11-27 — — US disclosed
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands NEUROGEN CORPORATION 2003-11-27 — — US disclosed
CN-1440393-A cyclic compound TANABE SEIYAKU CO (JP) 2003-09-03 — — CN disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 — — EP 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 (8 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 ALDH1A1 1904/4885KDM4E 1401/4885HCAR2 3675/4885
US-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA ALDH1A1 414/4885KDM4E 2366/4885HCAR2 1824/4885
US-20030220348-A1 Substituted imidazolylmethyl pyridine and pyrazine deriviatives GABAa receptor ligands GABRP, GABBR1, GABRA1 ALDH1A1 512/4885KDM4E 2954/4885HCAR2 86/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A ALDH1A1 1341/4885KDM4E 999/4885HCAR2 1019/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALDH1A1 1904/4885KDM4E 1401/4885HCAR2 3675/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA ALDH1A1 414/4885KDM4E 2366/4885HCAR2 1824/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A ALDH1A1 1392/4885KDM4E 732/4885HCAR2 798/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1483/4885KDM4E 635/4885HCAR2 1006/4885

“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.