SCHEMBL3010414

SCHEMBL3010414

CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 7/20 0.65
PDE1A P54750 5/20 0.65
PDE1C Q14123 5/20 0.65
PDE2A O00408 4/20 0.47
PDE4D Q08499 1/20 0.47
USP1 O94782 6/20 0.45
DPP4 P27487 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL2612342 0.92 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2612347 0.89 PDE1B (0.52) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3011746 0.88 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL10201414 0.88 PDE1B (0.65) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8045647 0.86 PDE1B (0.64) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL194641 0.86 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3666558 0.85 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3091517 0.85 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2454858 0.84 PDE1A (0.48) PDE1BPDE1APDE1CPDE2AUSP1
SCHEMBL17507919 0.84 PDE1B (0.70) 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 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
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-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
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 17/4885PDE1A 15/4885PDE1C 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.