SCHEMBL3711280

SCHEMBL3711280

COc1c(Br)ccnc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
NOS3 P29474 5/20 0.39
NOS2 P35228 5/20 0.39
NOS1 P29475 2/20 0.39
NQO2 P16083 1/20 0.37
PDE5A O76074 1/20 0.36
MAOA P21397 1/20 0.35
FYN P06241 5/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
DYRK1A Q13627 1/20 0.34
GAK O14976 2/20 0.34
EPHB6 O15197 1/20 0.34
RIPK2 O43353 1/20 0.34
STK16 O75716 1/20 0.34
ABL1 P00519 1/20 0.34
ACVR1 Q04771 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
COQ8A Q8NI60 1/20 0.34

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
SCHEMBL25385808 0.80 SMN1; SMN2 (0.42) NOS3NOS2NOS1CA2TSHR
SCHEMBL25228489 0.79 NOS2 (0.35) ALOX5APFEN1NOS3NOS2NOS1
SCHEMBL30610404 0.78 NQO2 (0.39) ALOX5APFEN1NOS3NOS2NOS1
SCHEMBL31602251 0.78 NOS2 (0.42) NOS3NOS2NOS1PDE5AMAOA
Methylamine SCHEMBL26629007 0.78 MAOA (0.38) ALOX5APFEN1NOS3NOS2NOS1
SCHEMBL22235384 0.77 NOS3 (0.41) NOS3NOS2NOS1PDE5AFYN
SCHEMBL28190331 0.77 MAOA (0.48) ALOX5APFEN1NQO2MAOACA2
SCHEMBL3556163 0.77 NOS2 (0.56) NOS3NOS2NOS1PDE5AMAOA
SCHEMBL1899766 0.77 NQO2 (0.38) ALOX5APFEN1NQO2MAOACA2
SCHEMBL21855909 0.75 NOS2 (0.39) NOS3NOS2NOS1PDE5AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
US-20260001898-A1 Heteroaryl compounds as inhibitors of TYK2/JAK1, composition and application thereof ACCRO BIOSCIENCE HK LTD (HK) 2026-01-01 US disclosed
EP-4337648-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 EP disclosed
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2025-05-22 US disclosed
US-20250163078-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-05-22 US disclosed
EP-4551559-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2025-05-14 EP disclosed
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
EP-4484433-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-01-01 EP disclosed
CN-111936486-A Pyridine-containing heterocyclic compounds useful as modulators of IL-12, IL-23, and/or IFN alpha response 百时美施贵宝公司 2020-11-13 CN disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
WO-2019183186-A1 HETEROCYCLIC COMPOUNDS COMPRISING PYRIDINE USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-26 WO disclosed
CN-110121499-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2019-08-13 CN disclosed
CN-109641895-A Indole compounds substituted with [1, 2, 4] triazolo [1, 5-a ] pyridyl 百时美施贵宝公司 2019-04-16 CN disclosed
CN-108349942-A Indolin-2-one derivative for treating CNS and relevant disease 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
CN-108024992-A Aryl, Heteroaryl and Heterocyclic Compounds for the Treatment of Medical Disorders 艾其林医药公司 2018-05-11 CN disclosed
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
CN-105377837-B N (heteroaryl) sulfamide derivative as S100 inhibitor 活跃生物技术有限公司 2017-08-04 CN disclosed
WO-2010100127-A1 DISUBSTITUTED IMIDAZOLE DERIVATIVES AS MODULATORS OF RAF KINASE NOVARTIS AG (CH) 2010-09-10 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 (5 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-20250163078-A1 IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF CYP4A11, CYP4F11, SLC6A11 ALOX5AP 1233/4885FEN1 4730/4885NOS3 3201/4885
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C ALOX5AP 3227/4885FEN1 1912/4885NOS3 2896/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C ALOX5AP 3159/4885FEN1 2203/4885NOS3 3011/4885
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 ALOX5AP 3808/4885FEN1 4033/4885NOS3 1049/4885
US-20260001898-A1 Heteroaryl compounds as inhibitors of TYK2/JAK1, composition and application thereof JAK1, JAK2, TYK2 ALOX5AP 4047/4885FEN1 4112/4885NOS3 1486/4885

“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.