SCHEMBL6310571

SCHEMBL6310571

CC(C)Cn1c(=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.70
PDE4A P27815 7/20 0.70
PDE4B Q07343 7/20 0.70
PDE4C Q08493 7/20 0.70
PDE4D Q08499 7/20 0.70
ADORA2B P29275 5/20 0.67
ADORA1 P30542 2/20 0.67
PDE3A Q14432 2/20 0.67
HPGD P15428 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
BLM P54132 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CFTR P13569 2/20 0.59
PDE2A O00408 2/20 0.59
PDE1A P54750 2/20 0.59
PDE1B Q01064 2/20 0.59
PDE1C Q14123 2/20 0.59
CYP3A4 P08684 2/20 0.59
PDE5A O76074 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL1376703 0.85 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL383123 0.85 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1460828 0.85 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7466316 0.83 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL1817246 0.80 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10980302 0.80 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL156402 0.80 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5515323 0.80 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7602847 0.78 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL25834247 0.78 PDE4A (0.68) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
EP-4301770-A1 LONG-ACTING AMYLIN RECEPTOR AGONISTS AND USES THEREOF Eli Lilly and Company (US) 2024-01-10 EP disclosed
CN-116496976-A Method for differentiating islet beta cells by adipose-derived mesenchymal stem cells and islet beta cells 广州四叶草健康科技有限公司 2023-07-28 CN disclosed
CN-110960574-A Preparation method and application of patchouli extract 黑龙江八一农垦大学 2020-04-07 CN disclosed
EP-2484754-A1 Novel method for the production of differentiated respiratory epithelial cells Medizinische Hochschule Hannover (DE) 2012-08-08 EP disclosed
US-6979687-B1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities Chen, Ing-Jun (TW) 2005-12-27 US disclosed
US-6979687-B1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities Chen, Ing-Jun (TW) 2005-12-27 US disclosed
US-20050209243-A1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities Chen, Ing-Jun 2005-09-22 US disclosed
EP-1432801-A2 RECEPTORS AND MEMBRANE-ASSOCIATED PROTEINS Incyte Genomics, Inc. (US) 2004-06-30 EP disclosed
WO-2002063006-A2 RECEPTORS AND MEMBRANE-ASSOCIATED PROTEINS INCYTE GENOMICS, INC. (US) 2002-08-15 WO disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0193599-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-09-10 EP disclosed
WO-1986001724-A1 XANTHINE DERIVATIVE PEST CONTROL AGENTS THE GENERAL HOSPITAL CORPORATION (US) 1986-03-27 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-20050209243-A1 Theophylline-based soluble guanylyl cyclase activators KMUP-1 analogues enhanced cyclic GMP and K+ channel activities on rabbit corpus cavernosum smooth muscle and intercavernous pressure activities PRKG1, PDE3A, GUCY1A1 ADORA2A 1025/4885PDE4A 11/4885PDE4B 28/4885

“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.