SCHEMBL2620656

SCHEMBL2620656

C=CN(/N=C\N)c1ccc(Cn2nc3c(c2Nc2ccccc2)c(=N)n(C)c(=O)n3CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 3/20 0.41
PDE1A P54750 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE2A O00408 3/20 0.37
PDE4D Q08499 1/20 0.37
PDE4A P27815 9/20 0.33
PDE8A O60658 2/20 0.32
PDE5A O76074 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE11A Q9HCR9 2/20 0.32
PDE7B Q9NP56 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE9A O76083 1/20 0.32

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
SCHEMBL2620420 0.91 PDE1B (0.41) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2119987 0.76 PDE1B (0.42) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL19522689 0.75 PDE1B (0.43) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8063327 0.73 PDE1B (0.48) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3087681 0.71 PDE1B (0.55) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL3000045 0.69 PDE1B (0.60) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL2120812 0.68 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL8059876 0.68 PDE1B (0.53) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL18349195 0.68 PDE1B (0.50) PDE1BPDE1APDE1CPDE2APDE4D
SCHEMBL192909 0.68 PDE1B (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094966-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-04-19 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-20120094966-A1 ORGANIC COMPOUNDS TPMT, CYP4X1, P2RX4 PDE1B 4847/4885PDE1A 4868/4885PDE1C 4824/4885

“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.