SCHEMBL1892011

SCHEMBL1892011

CCCCCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.92
ADORA2A P29274 9/20 0.92
PDE4A P27815 8/20 0.92
PDE4B Q07343 8/20 0.92
PDE4C Q08493 8/20 0.92
PDE4D Q08499 8/20 0.92
ADORA3 P0DMS8 6/20 0.92
HPGD P15428 1/20 0.49
ADORA1 P30542 1/20 0.49
BLM P54132 1/20 0.49
PDE3A Q14432 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL11661797 0.99 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL21381249 0.99 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6233166 0.96 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL27395394 0.96 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4423680 0.90 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9432924 0.84 ADORA2B (0.71) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL17748264 0.84 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL5039468 0.84 ADORA2B (0.74) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL31081359 0.84 ADORA2B (0.74) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL8679545 0.84 PDE4A (0.70) ADORA2BADORA2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131948-A2 HIGH-THROUGHPUT CELL-BASED CFTR ASSAY INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO 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-2721030-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES Takeda GmbH (DE) 2014-04-23 EP disclosed
EP-2721036-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS Takeda GmbH (DE) 2014-04-23 EP disclosed
WO-2012171900-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES NYCOMED GMBH (DE) 2012-12-20 WO disclosed
WO-2012171903-A1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS NYCOMED GMBH (DE) 2012-12-20 WO disclosed
WO-2011061398-A1 BIOLOGICAL REGENERATE TAMPEREEN YLIOPISTO (FI) 2011-05-26 WO disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-1751274-A1 METHOD FOR PRODUCING PLURIPOTENT CELLS FROM MONOCYTESMETHOD FOR PRODUCING PLURIPOTENT CELLS FROM MONOCYTES Peters, Hinrich (DE) 2007-02-14 EP disclosed
WO-2005118779-A1 METHOD FOR PRODUCING PLURIPOTENT CELLS FROM MONOCYTES UNIV GOETTINGEN GEORG AUGUST (DE) 2005-12-15 WO disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
EP-0535038-A4 MAMMALIAN ADIPOGENIC FACTORS 1993-12-29 EP disclosed
EP-0535038-A1 MAMMALIAN ADIPOGENIC FACTORS W. ALTON JONES CELL SCIENCE CENTER (US) 1993-04-07 EP disclosed
WO-1991018924-A1 MAMMALIAN ADIPOGENIC FACTORS W. ALTON JONES CELL SCIENCE CENTER (US) 1991-12-12 WO disclosed
EP-0308460-A1 A COMPOSITION FOR THE TOPICAL TREATMENT OF GLAUCOMA OR OCULAR HYPERTENSION. PHARMACIA AB (SE) 1989-03-29 EP disclosed
WO-1988007380-A1 A COMPOSITION FOR THE TOPICAL TREATMENT OF GLAUCOMA OR OCULAR HYPERTENSION PHARMACIA AB (SE) 1988-10-06 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 (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 ADORA2B 3323/4885ADORA2A 3171/4885PDE4A 1873/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA2A 17/4885PDE4A 315/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ADORA2B 3323/4885ADORA2A 3171/4885PDE4A 1873/4885

“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.