SCHEMBL1495090

SCHEMBL1495090

CCCn1cnc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.76
ADORA2A P29274 5/20 0.76
PDE4B Q07343 5/20 0.76
PDE4C Q08493 5/20 0.76
PDE4D Q08499 5/20 0.76
SMN1; SMN2 Q16637 1/20 0.65
MAPK1 P28482 2/20 0.64
CYP3A4 P08684 1/20 0.64
PMP22 Q01453 1/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 1/20 0.63
BRD4 O60885 2/20 0.58
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58
BRDT Q58F21 1/20 0.58
ADORA2B P29275 1/20 0.52

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
SCHEMBL4566277 0.91 MEN1 (0.77) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL25286006 0.90 ALDH1A1 (0.71) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL381684 0.89 PDE4A (0.71) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL11400162 0.88 MEN1 (0.69) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10394932 0.88 MEN1 (0.69) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL17682216 0.86 SMN1; SMN2 (0.64) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3902928 0.86 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7464482 0.85 PDE4A (0.86) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL16675435 0.84 MAPK1 (0.64) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10955005 0.84 MAPK1 (0.64) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025046257-A1 A SUBSTANTIALLY PURE PROPENTOFYLLINE AND PREPARATION THEREOF HIKAL LIMITED (IN) 2025-03-06 WO claimed
EP-0960884-B1 Process for the production of 3,7-dialkylxanthins from 3-alkylxanthins AVENTIS PHARMA GMBH (DE) 2002-10-09 EP claimed
EP-0597377-B1 Process for the production of 3,7-Dialkylxanthine from 3-Alkylxanthine AVENTIS PHARMA GMBH (DE) 2000-08-16 EP claimed
EP-0960884-A1 Process for the production of 3,7-dialkylxanthins from 3-alkylxanthins HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-01 EP claimed
US-5550041-A PRODUCING 3-METHYL-7-ALKYLXANTHINE BY CULTIVATING PSEUDOMONAS TRANSFORMED TO PRODUCE CAFFEINE DEMETHYLASE IN NUTRIENT MEDIUM CONTAINING 1,3-DIMETHYL-7-ALKYLXANTHINE AMANO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US claimed
EP-0597377-A1 Process for the production of 3,7-Dialkylxanthine from 3-Alkylxanthine HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-18 EP claimed
JP-5139976-A None JP disclosed
JP-7316156-A None JP disclosed
JP-6192047-A None JP disclosed
WO-2025046257-A1 A SUBSTANTIALLY PURE PROPENTOFYLLINE AND PREPARATION THEREOF HIKAL LIMITED (IN) 2025-03-06 WO disclosed
US-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC 2025-02-27 US disclosed
EP-4452279-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION Metro International Biotech, LLC (US) 2024-10-30 EP disclosed
CN-118541157-A Composition for treating inflammation 麦德龙国际生物科技有限责任公司 2024-08-23 CN disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 EP disclosed
EP-0264081-A2 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-04-20 EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 WO disclosed
US-4289776-A VASODILATORS, FIBRINOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0023032-A1 Process for the preparation of oxoalkylxanthines HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed
US-4207321-A PROMOTES BLOOD PERFUSION HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-10 US disclosed
US-4108995-A CEREBRAL BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-22 US 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-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION NQO1, NAMPT, MPO PDE4A 371/4885ADORA2A 543/4885PDE4B 405/4885

“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.