SCHEMBL13660679

SCHEMBL13660679

CNc1ncnc2c1ncn2CC(=O)N(CCNC(=O)C(C)(C)C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
P2RY1 P47900 2/20 0.39
PDE5A O76074 2/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE1C Q14123 2/20 0.38
PDE3A Q14432 2/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
YTHDC1 Q96MU7 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TMIGD3 P0DMS9 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
SCHEMBL13660673 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DP2RY1
SCHEMBL13660691 0.80 HPRT1 (0.41)
SCHEMBL13890772 0.79 HDAC1 (0.41) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8649567 0.76 CKS1B (0.40) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL5360101 0.76 HDAC1 (0.36) HDAC1HDAC2TDP1
SCHEMBL23453046 0.75 TMIGD3 (0.40) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL6803680 0.74 TDP1 (0.40) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL6046940 0.74 HDAC1 (0.43) HDAC1ADORA3TDP1
SCHEMBL21253603 0.74 ADCY5 (0.48) ADORA2AADORA2BADORA1ADCY5
SCHEMBL23453050 0.73 TDP1 (0.40) PDE4APDE4BPDE4CPDE4DHDAC1

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-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 PDE4A 3741/4885PDE4B 3669/4885PDE4C 3694/4885

“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.