SCHEMBL3011746

SCHEMBL3011746

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cncn4)cc3)nc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 8/20 0.64
PDE1A P54750 6/20 0.64
PDE1C Q14123 6/20 0.64
PDE2A O00408 5/20 0.45
PDE4D Q08499 1/20 0.45
DPP4 P27487 1/20 0.38
PDE4A P27815 2/20 0.35
MAPK10 P53779 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
SCHEMBL2120812 0.89 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8051665 0.88 PDE1B (0.65) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3010414 0.88 PDE1B (0.65) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8045647 0.85 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL194641 0.85 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3091517 0.84 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3666558 0.84 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2535845 0.84 PDE1B (0.49) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL2537381 0.84 PDE1B (0.45) PDE1BPDE1APDE1CPDE2ADPP4
SCHEMBL8044100 0.83 PDE1B (0.63) 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 17 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
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
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-09-17 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 US disclosed
US-9801882-B2 Phosphodiesterase-1 inhibitors and their use in treatment of cardiovascular diseases INTRA-CELLULAR THERAPIES, INC. (US) 2017-10-31 US disclosed
EP-2023729-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-04 EP disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US 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-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 US disclosed
US-20150374699-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. 2015-12-31 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 (5 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 17/4885PDE1A 15/4885PDE1C 29/4885
US-20200289518-A1 METHOD FOR TREATING BRAIN OR NERVE INJURY GAP43, NGF, CHAT PDE1B 1519/4885PDE1A 1787/4885PDE1C 1860/4885
US-20150374699-A1 NOVEL USES PDE2A, PDE5A, PDE3A PDE1B 21/4885PDE1A 13/4885PDE1C 23/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE1B 22/4885PDE1A 13/4885PDE1C 14/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE1B 17/4885PDE1A 10/4885PDE1C 15/4885

“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.