SCHEMBL10420191

SCHEMBL10420191

Cc1n[nH]c([N+](=O)[O-])c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL14295795 0.80 MAPT (0.35) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL6684736 0.80 ADORA2A (0.42) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL9761190 0.78 TSHR (0.37) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL9353447 0.78 TDP1 (0.39) DYRK1AMAPTHTTNPC1RAB9A
SCHEMBL2542592 0.78 MEN1 (0.39) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2913507 0.74 TDP1 (0.39) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL9762284 0.71 ALDH1A1 (0.35) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL31686443 0.68 ADORA2A (0.44) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL1774571 0.68 HTT (0.51) DYRK1AMAPTHTTNPC1RAB9A
SCHEMBL5281912 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 EP disclosed
US-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
EP-4525875-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023224894-A9 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-17 WO disclosed
WO-2024184550-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 WO disclosed
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
CN-109890846-A anti-CD 27 antibodies 默沙东公司 2019-06-14 CN disclosed
CN-105307656-B Quinoline inhibitors of macrophage stimulating 1 receptor MST1R 利德发现中心有限责任公司 2019-02-19 CN disclosed
CN-108676800-A The inhibition led using the mediated rnai of hepatitis type B virus (HBV) gene expression of short interfering nucleic acid (siNA) 瑟纳治疗公司 2018-10-19 CN disclosed
CN-108289922-A Therapeutic methods and compositions for treating non-small cell lung cancer 友杏生技医药股份有限公司 2018-07-17 CN disclosed
CN-103946223-B 3-cyanaryl-1h-pyrazolo[2.3-b]pyridine derivatives 默克专利股份公司 2017-01-18 CN disclosed
CN-103153951-A Pyrrolidones as MetAP-2 inhibitors MERCK PATENT GMBH 2013-06-12 CN disclosed
CN-101535268-B Tyrosine kinase inhibitors MERCK SHARP & DOHME 2012-11-14 CN disclosed
CN-101932572-A Pharmaceutically acceptable salts of 2- {4- [ (3S) -piperidin-3-yl ] phenyl } -2H-indazole-7-carboxamide MERCK & CO INC 2010-12-29 CN disclosed
CN-101855221-A Pyridazinone derivatives as PARP inhibitors ANGELETTI P IST RICHERCHE BIO 2010-10-06 CN disclosed
CN-101808518-A Pyridyl and pyrimidinyl derivatives as histone deacetylase inhibitors MERCK & CO INC 2010-08-18 CN disclosed
CN-101600706-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-12-09 CN disclosed
CN-101578279-A Amide substituted indazoles as poly (ADP ribose) polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-11-11 CN disclosed
CN-101203495-A Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK & CO INC (US) 2008-06-18 CN disclosed
US-4969946-A HALOGENATED PYRAZOLES THE DOW CHEMICAL COMPANY (US) 1990-11-13 US 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-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 DYRK1A 400/4885MAPT 528/4885HTT 357/4885

“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.