SCHEMBL7602847

SCHEMBL7602847

CCCCn1c(=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 1.00
ADORA2A P29274 11/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
ADORA2B P29275 7/20 0.83
ADORA3 P0DMS8 2/20 0.83
HPGD P15428 1/20 0.83
ADORA1 P30542 1/20 0.83
BLM P54132 1/20 0.83
PDE3A Q14432 1/20 0.83
HSD17B10 Q99714 1/20 0.83
PNP P00491 1/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
BRD4 O60885 1/20 0.56
BRD2 P25440 1/20 0.56
BRD3 Q15059 1/20 0.56
BRDT Q58F21 1/20 0.56

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
SCHEMBL9791629 0.94 PDE4A (0.89) PDE4AADORA2APDE4BPDE4CPDE4D
Enprofylline SCHEMBL1817246 0.91 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
Enprofylline SCHEMBL156402 0.91 PDE4A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1460898 0.86 PDE4A (0.75) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9032157 0.86 PDE4A (0.75) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL30488609 0.85 PDE4A (0.74) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7466316 0.84 ADORA2A (1.00) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL562981 0.82 PDE4A (0.70) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL562982 0.82 PDE4A (0.70) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3699117 0.82 PDE4A (0.73) 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 15 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
US-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 US disclosed
EP-0812844-B1 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AG (DE) 2002-10-23 EP disclosed
US-6221874-B1 7-CYCLIC-SUBSTITUTED SULFONYL-3,7-DIHYDRO-PURINE-2, 6-DIONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION 2001-04-24 US disclosed
US-6214992-B1 THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
EP-0812844-A2 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-17 EP 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-0042706-B1 XANTHINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A PROCESS FOR THEIR PREPARATION BEECHAM - WUELFING GmbH & Co. KG (DE) 1985-12-27 EP disclosed
EP-0157098-A1 Xanthine derivatives, pharmaceuticals compositions containing them and a process for their preparation Beecham Wuelfing GmbH & Co KG (DE) 1985-10-09 EP disclosed
US-4372959-A TREATMENT OF PERIPHERAL VASCULAR DISEASE BEECHAM-WULFING GMBH & CO. KG (DE) 1983-02-08 US disclosed
EP-0042706-A2 Xanthine derivatives, pharmaceutical compositions containing them and a process for their preparation BEECHAM - WUELFING GmbH & Co. KG (DE) 1981-12-30 EP disclosed
US-4289776-A VASODILATORS, FIBRINOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
US-4242345-A VASODILATORS Wulfing, Johann A. (DE) 1980-12-30 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 (2 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 PDE4A 1873/4885ADORA2A 3171/4885PDE4B 1806/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PDE4A 1873/4885ADORA2A 3171/4885PDE4B 1806/4885

“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.