SCHEMBL12401094

SCHEMBL12401094

Cc1cccnc1Cc1nc2c(cnn2C2CCCCC2)c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.68
▸ PDE1C Q14123 4/20 0.68
▸ KCNH2 Q12809 1/20 0.52

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
SCHEMBL12401049 0.99 PDE9A (0.69) PDE9APDE1CKCNH2
SCHEMBL7983382 0.90 PDE9A (0.75) PDE9APDE1C
SCHEMBL6341134 0.90 PDE9A (0.61) PDE9APDE1C
SCHEMBL7884611 0.89 PDE9A (0.60) PDE9APDE1C
SCHEMBL6369795 0.89 PDE9A (0.60) PDE9APDE1C
SCHEMBL12401090 0.88 PDE9A (0.62) PDE9APDE1C
SCHEMBL7876173 0.87 PDE9A (0.67) PDE9APDE1C
SCHEMBL12401050 0.85 PDE9A (0.81) PDE9APDE1C
SCHEMBL12401111 0.84 PDE9A (0.83) PDE9APDE1C
SCHEMBL12401293 0.82 PDE9A (0.98) 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 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 6/4885KCNH2 3121/4885

“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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