SCHEMBL232090

SCHEMBL232090

O=c1[nH]c2nccn2c2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.37
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
PDE5A O76074 1/20 0.34
PDE9A O76083 1/20 0.34
PDE8B O95263 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE6H Q13956 1/20 0.34

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
SCHEMBL232091 0.73 PDE4A (0.47) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL8148622 0.73 PDE4A (0.32) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL23619220 0.68 ALDH1A1 (0.33) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL23619444 0.68 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPDE2A
3-Methylxanthine SCHEMBL12013792 0.67 ADORA2A (0.46) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL8148624 0.67 ADORA2B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL22072395 0.66 PDE4A (0.42) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL23619261 0.65 PDE2A (0.31) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL22071855 0.65 MEN1 (0.33) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL2707128 0.64 RPA1 (0.50) MEN1KMT2APDPK1PARP1

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 40 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-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 EP 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-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
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD. (IN) 2024-05-14 US disclosed
CN-110997691-B Cyclic dinucleotides as anticancer agents 百时美施贵宝公司 2023-11-07 CN disclosed
US-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2022-12-22 US disclosed
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 US disclosed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
EP-2081431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-07-29 EP disclosed
WO-2008070095-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2008-06-12 WO disclosed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 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 (4 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-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADORA2A, ADORA1, ADORA2B PNP 97/4885PDE4A 128/4885PDE4B 125/4885
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof ADORA2A, ADORA1, ADORA2B PNP 97/4885PDE4A 128/4885PDE4B 125/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A PNP 396/4885PDE4A 6/4885PDE4B 12/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PNP 149/4885PDE4A 10/4885PDE4B 25/4885

“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.