SCHEMBL680009

SCHEMBL680009

Cn1c(=O)c2c(Sc3ccccc3)n(Cc3ccc(C(C)(F)F)cc3)nc2n(CC(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.37
PDE1A P54750 1/20 0.36
PDE1C Q14123 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GRM2 Q14416 3/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
PDE2A O00408 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE4A P27815 1/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL674937 0.94 PDE1B (0.37) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL678944 0.88 PDE1B (0.36) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL674429 0.87 ALDH1A1 (0.43) GRM2LMNAADORA3
SCHEMBL676398 0.86 PTGS2 (0.46) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL680017 0.85 PDE1B (0.41) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL676359 0.84 PDE1B (0.42) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL676325 0.83 DPP4 (0.37) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL676897 0.82 MAOB (0.38) PDE1BPDE1APDE1CGRM2LMNA
SCHEMBL678934 0.81 PDE1B (0.40) PDE1BPDE1APDE1CKMT2AMEN1
SCHEMBL676517 0.81 PDE1B (0.54) PDE1BPDE1APDE1CKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110281832-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 PDE1B 4855/4885PDE1A 4874/4885PDE1C 4854/4885

“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.