Sugi Predict

Sugi Predict / Compounds / SCHEMBL17059243

SCHEMBL17059243

SCHEMBL17059243

Nc1cc([N+](=O)[O-])c(F)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ ALOX15 P16050 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ TDP1 Q9NUW8 6/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HIF1A Q16665 2/20 0.44
▸ TTR P02766 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL28662968 0.95 ALDH1A1 (0.53) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL22206071 0.92 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL8067566 0.85 MAPK1 (0.52) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL10942341 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL28892661 0.84 SNCA (0.55) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL30979260 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL29595940 0.84 TDP1 (0.52) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL3990674 0.84 TDP1 (0.52) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL30892482 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL500039 0.82 TDP1 (0.50) ALDH1A1CYP3A4ALOX15MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041203-B Among the octenib Synthesis method of intermediate 常熟理工学院 2025-06-24 — — CN claimed
CN-116589372-B Among the octenib Synthesis method of intermediate 常熟泓德生物科技有限公司 2025-05-09 — — CN claimed
CN-116589372-A Synthesis method of Orientinib intermediate 常熟泓德生物科技有限公司 2023-08-15 — — CN claimed
CN-116041203-A Synthesis method of Orientinib intermediate 常熟理工学院 2023-05-02 — — CN claimed
CN-116041203-B Among the octenib Synthesis method of intermediate 常熟理工学院 2025-06-24 — — CN disclosed
CN-116041203-B Among the octenib Synthesis method of intermediate 常熟理工学院 2025-06-24 — — CN disclosed
CN-116589372-B Among the octenib Synthesis method of intermediate 常熟泓德生物科技有限公司 2025-05-09 — — CN disclosed
CN-116589372-B Among the octenib Synthesis method of intermediate 常熟泓德生物科技有限公司 2025-05-09 — — CN disclosed
CN-119522227-A Macrocyclic compounds, pharmaceutical compositions and uses thereof 贝达药业股份有限公司 2025-02-25 — — CN disclosed
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 — — US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 — — EP disclosed
WO-2024017358-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 贝达药业股份有限公司 2024-01-25 — — WO disclosed
CN-111909101-A EGFR kinase inhibitor and application thereof in preparation of anti-cancer drugs 浙江大学 2020-11-10 — — CN disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 — — US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 — — EP disclosed
WO-2017101803-A1 NOVEL EGFR AND ALK DUAL INHIBITOR 合肥中科普瑞昇生物医药科技有限公司 2017-06-22 — — WO disclosed
EP-3112364-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-04 — — EP disclosed
WO-2016173438-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR 南京明德新药研发股份有限公司 2016-11-03 — — WO disclosed
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 — — WO disclosed
WO-2015127872-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 — — 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-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR ALDH1A1 1967/4885CYP3A4 393/4885ALOX15 998/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD ALDH1A1 1411/4885CYP3A4 167/4885ALOX15 1600/4885

“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.