SCHEMBL3087675

SCHEMBL3087675

Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc2n(CC2CCNC2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 4/20 0.67
PDE2A O00408 4/20 0.52
PDE4D Q08499 2/20 0.52
PDE1A P54750 1/20 0.50
PDE1C Q14123 1/20 0.50
PDE4A P27815 15/20 0.49
PDE8A O60658 3/20 0.49
PDE5A O76074 3/20 0.49
PDE3B Q13370 3/20 0.49
PDE11A Q9HCR9 3/20 0.49
PDE7B Q9NP56 3/20 0.49
PDE10A Q9Y233 3/20 0.49
PDE9A O76083 2/20 0.49
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL3085971 0.87 PDE1B (0.62) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL8056402 0.86 PDE1B (0.54) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3084226 0.86 PDE1B (0.66) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL194162 0.84 PDE1B (0.63) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3091826 0.84 PDE1B (0.63) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL13242290 0.83 PDE1B (0.61) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL193938 0.83 PDE1B (0.66) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL3000045 0.83 PDE1B (0.60) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL193969 0.82 PDE1B (0.62) PDE1BPDE2APDE4DPDE1APDE1C
SCHEMBL193943 0.82 PDE1B (0.60) PDE1BPDE2APDE4DPDE1APDE1C

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
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
EP-2240028-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2010-10-20 EP 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 147/4885PDE2A 104/4885PDE4D 106/4885
US-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 PDE1B 115/4885PDE2A 83/4885PDE4D 89/4885

“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.