Sugi Predict

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SCHEMBL3088658

SCHEMBL3088658

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccn3)n(Cc3ccc(-c4ccccc4)cc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.59
▸ PDE1A P54750 6/20 0.59
▸ PDE1C Q14123 6/20 0.59
▸ PDE2A O00408 5/20 0.43
▸ PDE4D Q08499 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ PDE4A P27815 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
SCHEMBL194641 0.88 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3081134 0.87 PDE1B (0.66) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL193938 0.86 PDE1B (0.66) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3094611 0.86 PDE1B (0.57) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL13096556 0.85 PDE1B (0.51) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3079626 0.84 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8045649 0.81 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3091849 0.81 PDE1B (0.54) PDE1BPDE1APDE1CPDE2AMEN1
SCHEMBL3083046 0.80 PDE1B (0.53) PDE1BPDE1APDE1CPDE2AMEN1
SCHEMBL3666558 0.80 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240028-B1 Pyrazolopyrimidine-4,6-dione derivatives and their use as pharmaceutical INTRA CELLULAR THERAPIES INC (US) 2016-07-20 — — EP disclosed
EP-2240028-B1 Pyrazolopyrimidine-4,6-dione derivatives and their use as pharmaceutical INTRA CELLULAR THERAPIES INC (US) 2016-07-20 — — EP disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 — — US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 — — US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US disclosed
US-20100273753-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 — — US disclosed
WO-2009073210-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2009-06-11 — — 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 (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-20100273753-A1 ORGANIC COMPOUNDS OPRD1, PGR, HTR1D PDE1B 147/4885PDE1A 102/4885PDE1C 234/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 PDE1B 115/4885PDE1A 77/4885PDE1C 182/4885

“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.