SCHEMBL5902

SCHEMBL5902

Brc1ccc2cn[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 1.00
METAP2 P50579 3/20 1.00
DYRK1A Q13627 3/20 1.00
CSNK2A1 P68400 1/20 0.70
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
FGFR1 P11362 6/20 0.53
FGFR2 P21802 2/20 0.52
FGFR3 P22607 1/20 0.52
CYP3A4 P08684 2/20 0.50
IDO1 P14902 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CDK2 P24941 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL29364542 1.00 NOS1 (1.00) NOS1METAP2DYRK1ACSNK2A1MAPT
Hydrazine SCHEMBL16698268 0.94 NOS1 (0.89) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL5562 0.83 NOS1 (1.00) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL21787073 0.75 NOS1 (0.58) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL24046742 0.74 NOS1 (0.59) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL9529035 0.74 NOS1 (0.59) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL277779 0.74 NOS1 (0.59) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL12354 0.74 KDM4E (0.59) NOS1METAP2DYRK1AMAPTKDM4E
SCHEMBL177260 0.74 MAPT (1.00) NOS1METAP2DYRK1ACSNK2A1MAPT
SCHEMBL20060303 0.74 KDM4E (0.59) NOS1METAP2DYRK1AMAPTKDM4E

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 1133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514780-B Indazole micromolecular tubulin inhibitor and preparation method and application thereof 山东第一医科大学附属省立医院(山东省立医院) 2024-06-28 CN claimed
CN-116514780-A Indazole micromolecular tubulin inhibitor and preparation method and application thereof 山东第一医科大学附属省立医院(山东省立医院) 2023-08-01 CN claimed
CN-113956234-B N-phenyl substituted 1H-indazole-3-amine compound, preparation thereof and application of antitumor activity 温州医科大学 2023-07-21 CN claimed
WO-2023122498-A1 ONE-STEP OXIDE BATH FOR IMPROVING ADHESION OF POLYMERIC MATERIALS TO METAL SUBSTRATES MACDERMID, INCORPORATED (US) 2023-06-29 WO claimed
US-20230199972-A1 One-Step Oxide Bath for Improving Adhesion of Polymeric Materials to Metal Substrates MACDERMID, INCORPORATED 2023-06-22 US claimed
CN-115322176-A 2, 3-dihydrobenzofuranyl substituted 1H-indazole compound and preparation and application thereof 温州医科大学 2022-11-11 CN claimed
CN-113956234-A N-phenyl substituted 1H-indazole-3-amine compound, preparation thereof and application thereof in antitumor activity 温州医科大学 2022-01-21 CN claimed
CN-110003187-B Polyfluoroalkyl substituted benzofuran compound and preparation method thereof 南京工业大学 2021-11-05 CN claimed
CN-113307773-A 6-bromo-3-methoxy-1-phenyl-1H-indazole and synthetic method and application thereof 上海毕得医药科技股份有限公司 2021-08-27 CN claimed
CN-110003187-A Polyfluoroalkyl substituted benzofuran compound and preparation method thereof 南京工业大学 2019-07-12 CN claimed
CN-109206455-A It is used to prepare the aryl ruthenium complex and its preparation method and application for the treatment of liver-cancer medicine 广西中医药大学 2019-01-15 CN claimed
CN-109180741-A Ruthenium (II) complex and its preparation method and application for treating gastric cancer 广西中医药大学 2019-01-11 CN claimed
CN-109180737-A Phototoxicity organic compound and its preparation method and application for treating liver cancer 广西中医药大学 2019-01-11 CN claimed
CN-108864204-A It is used to prepare the aryl ruthenium complex and its preparation method and application of anti-tumor drug 广西中医药大学 2018-11-23 CN claimed
CN-108822158-A Ruthenium (II) complex and its preparation method and application for treating liver cancer 广西中医药大学 2018-11-16 CN claimed
CN-108752390-A With phototoxic antitumoral compounds and its preparation method and application 广西中医药大学 2018-11-06 CN claimed
CN-122071464-A Heterocyclic compound, pharmaceutical composition thereof and application thereof 上海璎黎药业有限公司 2026-05-22 CN disclosed
US-12630516-B2 Compounds NRG THERAPEUTICS LTD. (GB) 2026-05-19 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 US disclosed
WO-2001032660-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR ANTAGONIST ACTIVITY NPS ALLELIX CORP. (US) 2001-05-10 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 (1 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-12630516-B2 Compounds CYP4B1, CYP1B1, NR4A1 NOS1 1237/4885METAP2 4155/4885DYRK1A 4702/4885

“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.