SCHEMBL3666558

SCHEMBL3666558

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 8/20 0.72
PDE1A P54750 6/20 0.72
PDE1C Q14123 6/20 0.72
PDE2A O00408 6/20 0.49
PDE4D Q08499 1/20 0.49
PDE4A P27815 3/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE8A O60658 1/20 0.38
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL3713156 0.93 PDE1B (0.71) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL194641 0.91 PDE1B (0.73) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3091517 0.91 PDE1B (0.72) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL17507919 0.89 PDE1B (0.70) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3087225 0.88 PDE1B (0.69) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3094574 0.88 PDE1B (0.76) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL194205 0.88 PDE1B (0.69) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL17507915 0.87 PDE1B (0.68) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL17539953 0.87 PDE1B (0.68) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL194194 0.87 PDE1B (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240028-B1 Pyrazolopyrimidine-4,6-dione derivatives and their use as pharmaceutical INTRA CELLULAR THERAPIES INC (US) 2016-07-20 EP disclosed
US-20150197524-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-07-16 US disclosed
US-8846693-B2 Optionally substituted pyrazolo[3,4-d]pyrimidine-4,6-diones INTRA-CELLULAR THERAPIES, INC. (US) 2014-09-30 US disclosed
EP-2240028-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2010-10-20 EP disclosed
WO-2009073210-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC (US) 2009-06-11 WO 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-20150197524-A1 ORGANIC COMPOUNDS OPRD1, HTR1D, DRD1 PDE1B 115/4885PDE1A 77/4885PDE1C 182/4885

“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.