SCHEMBL12401030

SCHEMBL12401030

CC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.81
▸ PDE1C Q14123 1/20 0.65
▸ PDE1B Q01064 6/20 0.56
▸ PDE5A O76074 2/20 0.55
▸ PDE2A O00408 1/20 0.55
▸ PDE8A O60658 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PDE7A Q13946 1/20 0.55
▸ PDE10A Q9Y233 1/20 0.55

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
SCHEMBL12401048 0.99 PDE9A (0.79) PDE9APDE1CPDE1BPDE5APDE2A
SCHEMBL6343967 0.90 PDE9A (0.66) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL7880512 0.90 PDE9A (0.67) PDE9APDE1C
SCHEMBL2528957 0.90 PDE9A (1.00) PDE9APDE1CPDE1BPDE5A
SCHEMBL7884874 0.89 PDE9A (0.66) PDE9APDE1CPDE1BPDE5A
SCHEMBL12401082 0.89 PDE9A (0.98) PDE9APDE1CPDE1B
SCHEMBL6338426 0.89 PDE9A (0.65) PDE9A
SCHEMBL2528350 0.88 PDE9A (0.71) PDE9APDE1CPDE1BPDE5APDE2A
SCHEMBL7876695 0.88 PDE9A (0.64) PDE9APDE1CPDE1B
SCHEMBL2528553 0.88 PDE9A (0.73) PDE9APDE1CPDE1BPDE5APDE2A

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-8623879-B2 1-heterocyclyl-1,5-dihydro-pyrazolo[3,4-D] pyrimidin-4-one derivates and their use as PDE9A modulators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 — — 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-20110184000-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS PDE9A, PDE7A, PDE1A PDE9A 1/4885PDE1C 6/4885PDE1B 4/4885

“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.

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