SCHEMBL680003

SCHEMBL680003

CC(C)Cn1c(=O)n(C)c(=O)c2c(Sc3ccc(F)cc3)n(Cc3ccc(-n4cccn4)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP1 O94782 6/20 0.48
PDE1B Q01064 5/20 0.41
PDE1A P54750 4/20 0.41
PDE1C Q14123 4/20 0.41
PDE2A O00408 3/20 0.38
PDE4D Q08499 1/20 0.38
DPP4 P27487 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK1 P28482 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL15943437 0.88 PDE1B (0.39) USP1PDE1BPDE1APDE1CPDE2A
SCHEMBL3010414 0.79 PDE1B (0.65) USP1PDE1BPDE1APDE1CPDE2A
SCHEMBL679995 0.78 PDE1B (0.45) USP1PDE1BPDE1APDE1CPDE2A
SCHEMBL679944 0.77 PDE1B (0.47) USP1PDE1BPDE1APDE1CPDE2A
SCHEMBL678876 0.77 PDE1A (0.48) PDE1BPDE1APDE1CPDE2ALMNA
SCHEMBL15943410 0.76 PDE1B (0.47) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL675773 0.76 USP1 (0.42) USP1PDE1BPDE2APDE4DDPP4
SCHEMBL679958 0.75 PDE1B (0.46) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL9608312 0.73 USP1 (0.45) USP1PDE1BPDE1APDE1CPDE2A
SCHEMBL2612342 0.73 PDE1B (0.55) USP1PDE1BPDE1APDE1CPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487527-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase I INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-08 US disclosed
US-20150119370-A1 Organic Compounds LI PENG (US) 2015-04-30 US disclosed
US-8859564-B2 Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1 INTRA-CELLULAR THERAPIES, INC. (US) 2014-10-14 US disclosed
US-20110281832-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2011-11-17 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 (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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 USP1 4645/4885PDE1B 4855/4885PDE1A 4874/4885
US-20150119370-A1 Organic Compounds CYP2C19, CYP2C9, CYP3A43 USP1 3856/4885PDE1B 4882/4885PDE1A 4885/4885

“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.