SCHEMBL7460178

SCHEMBL7460178

CCCn1c(=O)c2[nH]cnc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 1.00
PDE4B Q07343 16/20 1.00
PDE4C Q08493 16/20 1.00
PDE4D Q08499 16/20 1.00
ADORA2A P29274 11/20 1.00
ADORA2B P29275 9/20 0.82
CFTR P13569 1/20 0.69
ADORA3 P0DMS8 1/20 0.68

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
SCHEMBL7109948 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL515771 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381258 0.90 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
Ammonia Solution, Strong SCHEMBL10420651 0.89 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7016029 0.89 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7458212 0.88 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
Iodide SCHEMBL28973314 0.88 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9765669 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8656750 0.87 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5400933 0.86 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116298235-A Serum metabolism biomarker for diagnosing or monitoring breast cancer and screening method thereof 哈尔滨医科大学 2023-06-23 CN claimed
JP-6192047-A None JP disclosed
CN-120017041-A Pressure converter 力旺电子股份有限公司 2025-05-16 CN disclosed
CN-116298235-A Serum metabolism biomarker for diagnosing or monitoring breast cancer and screening method thereof 哈尔滨医科大学 2023-06-23 CN disclosed
US-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 US disclosed
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 EP disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
JP-H06192047-A HAIR TONIC SUNSTAR INC 1994-07-12 JP disclosed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 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 (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-20150126593-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ASTHMA AND ALLERGY LTA4H, LTC4S, ALOX5 PDE4A 527/4885PDE4B 713/4885PDE4C 758/4885

“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.