SCHEMBL3012870

SCHEMBL3012870

CC(C)Cn1c(=O)n(C)c(=O)c2cn[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 10/20 0.48
PDE1B Q01064 10/20 0.48
PDE1C Q14123 10/20 0.48
PDE2A O00408 5/20 0.48
PDE5A O76074 3/20 0.48
CFTR P13569 2/20 0.48
ADORA1 P30542 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
PDE4A P27815 1/20 0.48
MAPK1 P28482 1/20 0.48
SCN1A P35498 1/20 0.48
PDE6C P51160 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL11175917 0.84 PDE1A (0.35) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL11193540 0.83 PDE4A (0.44) TSHRPDE4AMAPK1PDE4BPDE4C
SCHEMBL4430296 0.77 PDE3B (0.39) ADORA1PDE4APDE4BPDE4CPDE4D
SCHEMBL11178750 0.74 HTT (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL11175925 0.72 PDE4A (0.34) TSHRPDE4AMAPK1PDE4BPDE4C
SCHEMBL3070917 0.72 PARG (0.45) PDE1APDE1BPDE1CMAPK1LMNA
SCHEMBL10992924 0.72 PDE1A (0.46) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL2456557 0.71 PDE1A (0.53) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL5410997 0.71 PDE1A (0.55) PDE1APDE1BPDE1CPDE2APDE5A
Isobutylmethylxanthine SCHEMBL1020643 0.71 PDE2A (0.62) PDE1APDE1BPDE1CPDE2APDE5A

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
EP-0077372-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-d)PYRIMIDINE, PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-04-27 EP claimed
WO-1982003626-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-D)PYRIMIDINE,PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM GAURI KAILASH KUMAR 1982-10-28 WO claimed
EP-0063381-A1 Pyrazolo(3-4-d) pyrimidines, process for their preparation and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-10-27 EP claimed
EP-2023729-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-04 EP disclosed
US-9255099-B2 Pyrazolo[3,4-D]pyrimidine-4,6(5H,7H)-diones as phosphodiesterase 1 inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2016-02-09 US disclosed
US-20100173878-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-07-08 US disclosed
EP-2023729-A2 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-02-18 EP disclosed
WO-2007143705-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2007-12-13 WO disclosed
EP-0975636-B1 1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONES AS T-CELL PROLIFERATION INHIBITORS ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
US-6028074-A FOR TREATING ALLOGRAFT REJECTION ASTRA PHARMACEUTICALS, LTD. (GB) 2000-02-22 US disclosed
EP-0975636-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-02-02 EP disclosed
WO-1998046606-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-22 WO disclosed
US-4511557-A CALF'S BLOOD DIAYSATE AS VASODILATION POTENTIATOR GAURI KAILASH KUMAR (DE) 1985-04-16 US disclosed
EP-0106309-A2 Biologically active extracts, process for their manufacture, medicinal and cosmetical preparations comprising them, and their use as additives in foodstuffs and stimulants Gauri, Kailash Kumar, Dr. Prof. (DE) 1984-04-25 EP disclosed
EP-0077372-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-d)PYRIMIDINE, PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-04-27 EP disclosed
WO-1982003626-A1 NEW DERIVATIVES OF PYRAZOLO(3,4-D)PYRIMIDINE,PREPARATION METHOD THEREOF AND REMEDY CONTAINING THEM GAURI KAILASH KUMAR 1982-10-28 WO disclosed
EP-0063381-A1 Pyrazolo(3-4-d) pyrimidines, process for their preparation and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-10-27 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 (1 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-20100173878-A1 ORGANIC COMPOUNDS PDE3A, PDE7A, PDE3B PDE1A 15/4885PDE1B 17/4885PDE1C 29/4885

“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.