SCHEMBL4529535

SCHEMBL4529535

Cn1c(=O)c2c(ncn2CC=O)n(C)c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.76
LMNA P02545 4/20 0.66
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.61
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 2/20 0.58
PIK3CD O00329 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CNR1 P21554 1/20 0.58
ACHE P22303 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
NTSR1 P30989 1/20 0.58
MC3R P41968 1/20 0.58
NOTUM Q6P988 1/20 0.58
SIRT3 Q9NTG7 1/20 0.58
GDA Q9Y2T3 1/20 0.58
NR2E1 Q9Y466 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
Guanidine SCHEMBL8400928 0.92 ADORA2B (0.65) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL316279 0.86 ADORA2B (1.00) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL10354149 0.86 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19370573 0.85 ADORA2B (0.71) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120984 0.85 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11430966 0.84 ADORA2B (0.70) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11018328 0.84 ADORA2B (0.70) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL17633964 0.84 ADORA2B (0.70) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL15453218 0.84 ADORA2B (0.72) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19533057 0.83 ADORA2B (0.73) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114264730-A Method for detecting related substances of doxofylline injection 扬子江药业集团南京海陵药业有限公司 2022-04-01 CN claimed
CN-111060623-A Method for detecting doxofylline impurities 北京鑫开元医药科技有限公司 2020-04-24 CN claimed
EP-0272596-B1 Theophyllinemethyldithiolan and theophyllinemethyldithianyl derivates, a method for their preparation and pharmaceutical compositions in which they are included ABC IST BIOLOG CHEM SPA (IT) 1994-03-09 EP claimed
EP-0272596-A2 Theophyllinemethyldithiolan and theophyllinemethyldithianyl derivates, a method for their preparation and pharmaceutical compositions in which they are included ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.p.A. (IT) 1988-06-29 EP claimed
CN-114264730-B Method for detecting related substances of doxofylline injection 扬子江药业集团南京海陵药业有限公司 2025-05-16 CN disclosed
CN-114264730-A Method for detecting related substances of doxofylline injection 扬子江药业集团南京海陵药业有限公司 2022-04-01 CN disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 EP disclosed
CN-111060623-A Method for detecting doxofylline impurities 北京鑫开元医药科技有限公司 2020-04-24 CN disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-4960773-A ANTITUSSIVE AGENT CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-10-02 US disclosed
EP-0177659-B1 ESTER DERIVATIVES OF 7-(OMEGA-OXYALKYL) THEOPHYLLINE AND THEIR PHARMACEUTICAL ACTIVITY Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1990-09-19 EP disclosed
US-4868186-A BRONCHODILATOR AGENTS ISTITUTO BIOLOGICO CHEMIOTERAPICO ABC S.P.A. (JP) 1989-09-19 US disclosed
EP-0315401-A2 Xanthine derivatives and their preparation and pharmaceutical formulation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-05-10 EP disclosed
EP-0272596-A2 Theophyllinemethyldithiolan and theophyllinemethyldithianyl derivates, a method for their preparation and pharmaceutical compositions in which they are included ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.p.A. (IT) 1988-06-29 EP disclosed
EP-0089028-B1 THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-05-25 EP disclosed
US-4618612-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, BRONCHODILATOR AGENTS MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1986-10-21 US disclosed
EP-0177659-A1 Ester derivatives of 7-(omega-oxyalkyl) theophylline and their pharmaceutical activity Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1986-04-16 EP 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 (3 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 ADORA2B 1599/4885LMNA 594/4885MAPT 2844/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ADORA2B 176/4885LMNA 819/4885MAPT 568/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ADORA2B 1599/4885LMNA 594/4885MAPT 2844/4885

“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.