SCHEMBL193846

SCHEMBL193846

COc1ccc(Cn2c(=O)n(C)c(=O)c3c(Nc4ccccc4)n(Cc4ccc(-c5ccccc5)cc4)nc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.59
PDE1A P54750 1/20 0.55
PDE1C Q14123 1/20 0.55
NPBWR1 P48145 2/20 0.51
PDE2A O00408 2/20 0.49
PDE4D Q08499 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
PIK3CD O00329 1/20 0.47
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 7/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE8A O60658 1/20 0.43
PDE5A O76074 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE11A Q9HCR9 1/20 0.43

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
SCHEMBL193943 0.90 PDE1B (0.60) PDE1BPDE1APDE1CNPBWR1PDE2A
SCHEMBL193592 0.89 PDE1B (0.54) PDE1BPDE1APDE1CNPBWR1PDE2A
SCHEMBL23069606 0.88 PDE1B (0.78) PDE1BPDE1APDE1CNPBWR1PDE2A
SCHEMBL29790133 0.88 PDE1B (0.78) PDE1BPDE1APDE1CNPBWR1PDE2A
SCHEMBL23083001 0.88 PDE1B (0.59) PDE1BPDE1APDE1CNPBWR1PDE2A
SCHEMBL194641 0.86 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL774239 0.83 ALDH1A1 (0.51) NPBWR1ALDH1A1POLBPIK3CDBLM
SCHEMBL3081134 0.81 PDE1B (0.66) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3087681 0.81 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL17508434 0.81 PDE1B (0.57) PDE1BPDE1APDE1CNPBWR1PDE2A

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
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-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.