SCHEMBL232091

SCHEMBL232091

O=c1[nH]c2nccn2c2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.47
PDE4B Q07343 7/20 0.47
PDE4C Q08493 7/20 0.47
PDE4D Q08499 7/20 0.47
ADORA2A P29274 6/20 0.46
ADORA2B P29275 4/20 0.44
PDE3A Q14432 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PNP P00491 2/20 0.42
ACHE P22303 1/20 0.40
GDA Q9Y2T3 1/20 0.40
MPO P05164 2/20 0.39
TPO P07202 2/20 0.39
PDE2A O00408 1/20 0.37
PDE6D O43924 1/20 0.37
PDE8A O60658 1/20 0.37

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
SCHEMBL232090 0.73 PNP (0.37) PDE4APDE4BPDE4CPDE4DPDE3A
SCHEMBL8148624 0.73 ADORA2B (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5229210 0.70 ADORA2B (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6231520 0.70 ADORA2A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
Hydrochloric Acid SCHEMBL5231288 0.69 ADORA2B (0.49) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3420036 0.69 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3A
SCHEMBL14060874 0.68 PDE2A (0.36) PDE4APDE4BPDE4CPDE4DPDE3A
SCHEMBL864455 0.67 ADORA2A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL18112639 0.67 ADORA2A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
3-Methylxanthine SCHEMBL237146 0.67 ADORA2A (0.64) 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997691-B Cyclic dinucleotides as anticancer agents 百时美施贵宝公司 2023-11-07 CN claimed
EP-2434895-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2012-04-04 EP claimed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 WO claimed
EP-1624893-A2 INHIBITORS OF PHOSPHODIESTERASES IN INFERTILITY Applied Research Systems ARS Holding N.V. (AN) 2006-02-15 EP claimed
US-20040259792-A1 Inhibitors of phosphodiesterases in infertility LABORATOIRES SERONO SA (CH) 2004-12-23 US claimed
WO-2004087211-A2 INHIBITORS OF PHOSPHODIESTERASES IN INFERTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-10-14 WO claimed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP claimed
JP-H08507068-A 1996-07-30 JP claimed
EP-0686157-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1995-12-13 EP claimed
WO-1994019351-A1 2-BENZYL-POLYCYCLIC GUANINE DERIVATIVES AND PROCESS FOR PREPARING THEM SCHERING CORPORATION (US) 1994-09-01 WO claimed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO claimed
EP-4655411-A2 ENZYMATIC SYNTHESIS OF POLYNUCLEOTIDE PROBES DNA Script (FR) 2025-12-03 EP disclosed
WO-2024156896-A2 ENZYMATIC SYNTHESIS OF POLYNUCLEOTIDE PROBES DNA SCRIPT (FR) 2024-08-02 WO disclosed
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD. (IN) 2024-05-14 US disclosed
US-11866779-B2 Jettison-MS for nucleic acid species NORTHEASTERN UNIVERSITY (US) 2024-01-09 US disclosed
US-20040259792-A1 Inhibitors of phosphodiesterases in infertility LABORATOIRES SERONO SA (CH) 2004-12-23 US disclosed
WO-2004087211-A2 INHIBITORS OF PHOSPHODIESTERASES IN INFERTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-10-14 WO disclosed
WO-2003047588-A1 KIT FOR REDUCING ACHING CAUSED BY PDE-V INHIBITORS PFIZER LIMITED (GB) 2003-06-12 WO disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed
EP-0423805-A2 Condensed purine derivatives KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1991-04-24 EP 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-20040259792-A1 Inhibitors of phosphodiesterases in infertility PDE5A, PDE2A, PDE3A PDE4A 6/4885PDE4B 8/4885PDE4C 7/4885
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof ADORA2A, ADORA1, ADORA2B PDE4A 128/4885PDE4B 125/4885PDE4C 170/4885

“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.