SCHEMBL192909

SCHEMBL192909

Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C(F)(F)F)nc3)nc2n(CC(C)(C)C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.53
PDE2A O00408 2/20 0.51
PDE4D Q08499 1/20 0.51
PDE4A P27815 4/20 0.49
PDE5A O76074 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE11A Q9HCR9 2/20 0.49
PDE7B Q9NP56 2/20 0.49
PDE10A Q9Y233 2/20 0.49
PDE1A P54750 1/20 0.49
PDE1C Q14123 1/20 0.49
CNR1 P21554 7/20 0.41
NR3C1 P04150 2/20 0.36
PDE9A O76083 3/20 0.36
PDE8A O60658 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PREP P48147 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
SCHEMBL3000045 0.81 PDE1B (0.60) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL3087681 0.80 PDE1B (0.55) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL8059876 0.80 PDE1B (0.53) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL26233338 0.79 PDE1B (0.77) PDE1BPDE2APDE4DPDE4APDE1A
SCHEMBL2120812 0.78 PDE1B (0.50) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL18349195 0.78 PDE1B (0.50) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL17507918 0.78 PDE1B (0.66) PDE1BPDE2APDE4DPDE4APDE1A
SCHEMBL193969 0.77 PDE1B (0.62) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL8055513 0.77 PDE1B (0.57) PDE1BPDE2APDE4DPDE4APDE5A
SCHEMBL193592 0.76 PDE1B (0.54) PDE1BPDE2APDE4DPDE4APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023729-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-04 EP claimed
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 claimed
EP-2400970-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS Intra-Cellular Therapies, Inc. (US) 2012-01-04 EP claimed
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 WO claimed
US-20100173878-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-07-08 US claimed
EP-2023729-A2 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-02-18 EP claimed
WO-2007143705-A2 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2007-12-13 WO 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
US-20100173878-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-07-08 US 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 PDE1B 17/4885PDE2A 6/4885PDE4D 12/4885

“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.