SCHEMBL2894993

SCHEMBL2894993

COc1cnc(N)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PDE10A Q9Y233 1/20 0.41
DYRK1A Q13627 1/20 0.41
TRPC6 Q9Y210 7/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
EGFR P00533 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29637494 1.00 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL29637497 1.00 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL23068062 0.85 P2RX3 (0.43) NOS3NOS1NOS2PIK3CAMTOR
SCHEMBL91466 0.82 NOS3 (0.58) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL21241205 0.82 NOS3 (0.58) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL22502131 0.81 MCHR1 (0.44)
SCHEMBL29637517 0.80 DYRK1A (0.53) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL10200683 0.80 P2RX3 (0.40) NOS3NOS1NOS2PIK3CAMTOR
SCHEMBL2117006 0.80 ALOX5AP (0.42) NOS3NOS1NOS2ALDH1A1PIK3CA
SCHEMBL29214455 0.80 NOS3 (0.44) NOS3NOS1NOS2PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615839-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
US-20240199611-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-06-20 US disclosed
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-06 US disclosed
WO-2024102794-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO disclosed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
EP-4028399-B1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-02-14 EP disclosed
EP-4308239-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-01-24 EP disclosed
CN-117396475-A Antibacterial compounds 爱尔兰詹森科学公司 2024-01-12 CN disclosed
CN-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 CN disclosed
US-11731960-B2 Biheterocyclic compound Sumitomo Pharma Co., Ltd. (JP) 2023-08-22 US disclosed
WO-2017122722-A1 BIHETEROCYCLIC COMPOUND 大日本住友製薬株式会社 2017-07-20 WO disclosed
CN-106458812-A Compound containing modified phenolic hydroxy group, method for producing compound containing modified phenolic hydroxy group, photosensitive composition, resist material, and resist coating film DIC株式会社 2017-02-22 CN disclosed
CN-103380130-B Novel pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD 2015-06-17 CN disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
CN-101484164-A Therapeutic use of 2-benzoyl-imidazopyridines SANOFI AVENTIS (FR) 2009-07-15 CN disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
US-20090143421-A1 USE OF 2-BENZOYL-IMIDAZOPYRIDINES IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-04 US disclosed
EP-2040705-A2 USE OF 2-BENZOYL-IMIDAZOPYRIDINES IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003855-A2 USE OF 2-BENZOYL-IMIDAZOPYRIDINES IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 NOS3 295/4885NOS1 256/4885NOS2 136/4885
US-20240199611-A1 ANTIBACTERIAL COMPOUNDS FDPS, MT-ND4, NDUFS3 NOS3 1441/4885NOS1 1335/4885NOS2 1396/4885
US-11731960-B2 Biheterocyclic compound NR4A3, NGF, OGFR NOS3 386/4885NOS1 685/4885NOS2 870/4885
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 NOS3 4303/4885NOS1 3998/4885NOS2 3281/4885
US-20090143421-A1 USE OF 2-BENZOYL-IMIDAZOPYRIDINES IN THERAPEUTICS NCOR1, NR4A3, NR4A2 NOS3 543/4885NOS1 831/4885NOS2 879/4885

“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.