SCHEMBL13865784

SCHEMBL13865784

BN1CCCC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.54
PDE1C Q14123 5/20 0.49
KCNH2 Q12809 1/20 0.47
PDE1B Q01064 1/20 0.47

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
SCHEMBL13865776 0.91 PDE9A (0.58) PDE9APDE1CKCNH2
SCHEMBL13865765 0.88 PDE9A (0.53) PDE9APDE1CKCNH2
SCHEMBL13865759 0.86 PDE9A (0.56) PDE9APDE1CPDE1B
SCHEMBL13865740 0.85 PDE9A (0.55) PDE9APDE1CPDE1B
SCHEMBL6897438 0.85 PDE9A (0.60) PDE9APDE1C
SCHEMBL13865749 0.85 PDE9A (0.54) PDE9APDE1CPDE1B
SCHEMBL3725138 0.82 PDE9A (0.56) PDE9APDE1CKCNH2PDE1B
SCHEMBL13870398 0.82 PDE9A (0.60) PDE9APDE1C
SCHEMBL13865753 0.81 PDE9A (0.57) PDE9APDE1CPDE1B
SCHEMBL4516118 0.81 PDE9A (0.70) PDE9APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1C 190/4885KCNH2 4279/4885

“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.