SCHEMBL1331789

SCHEMBL1331789

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 1.00
PDE4B Q07343 14/20 1.00
PDE4C Q08493 14/20 1.00
PDE4D Q08499 14/20 1.00
ADORA2A P29274 12/20 1.00
ADORA2B P29275 8/20 0.83
PDE2A O00408 1/20 0.66
PDE5A O76074 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CFTR P13569 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
ADORA1 P30542 1/20 0.66
SCN1A P35498 1/20 0.66
PDE6C P51160 1/20 0.66
PDE1A P54750 1/20 0.66
PDE1B Q01064 1/20 0.66
PDE3B Q13370 1/20 0.66
PDE7A Q13946 1/20 0.66

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
SCHEMBL3177911 0.96 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381254 0.94 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3186630 0.91 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9765669 0.91 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11361392 0.90 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3842077 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381259 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381240 0.88 ADORA2B (0.94) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3190853 0.88 ADORA2B (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7109948 0.88 PDE4A (1.00) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 US claimed
EP-4277628-A1 TASQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR USE IN THE TREATMENT OF MYELODYSPLASTIC SYNDROME Active Biotech AB (SE) 2023-11-22 EP disclosed
EP-2671539-B1 TRANSPLANT GUIDING PART AND TRANSPLANT TOOL CYFUSE BIOMEDICAL KK (JP) 2023-03-29 EP disclosed
WO-2022152902-A1 TASQUINIMOD OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR USE IN THE TREATMENT OF MYELODYSPLASTIC SYNDROME ACTIVE BIOTECH AB (SE) 2022-07-21 WO disclosed
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
US-9469833-B2 Transplantation guide and transplantation device Cyfuse Biomedical K. K. (JP) 2016-10-18 US disclosed
EP-1497444-B1 METHODS FOR INCREASING POLYPEPTIDE PRODUCTION IMMUNEX CORP (US) 2015-11-04 EP disclosed
US-20140283356-A1 DEVICE FOR MANUFACTURING SUPPORTING BODY FOR PRODUCTION OF THREE-DIMENSIONAL STRUCTURE OF CELLS SAGA UNIVERSITY (JP) 2014-09-25 US disclosed
US-6872549-B2 Methods for increasing polypeptide production IMMUNEX CORPORATION (US) 2005-03-29 US disclosed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US disclosed
US-20030211579-A1 Methods for increasing polypeptide production IMMUNEX CORPORATION 2003-11-13 US disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US 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-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 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 (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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885
US-20030211579-A1 Methods for increasing polypeptide production IAPP, NPEPPS, ANPEP PDE4A 669/4885PDE4B 785/4885PDE4C 736/4885

“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.