SCHEMBL2531298

SCHEMBL2531298

CC1CCC(Cc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)CC1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.83
▸ PDE1C Q14123 3/20 0.61

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
SCHEMBL12401081 0.93 PDE9A (0.95) PDE9APDE1C
SCHEMBL12401038 0.91 PDE9A (0.95) PDE9APDE1C
SCHEMBL12401052 0.91 PDE9A (1.00) PDE9APDE1C
SCHEMBL12401068 0.91 PDE9A (1.00) PDE9APDE1C
SCHEMBL1664897 0.91 PDE9A (1.00) PDE9APDE1C
SCHEMBL12401308 0.90 PDE9A (0.98) PDE9APDE1C
SCHEMBL7985584 0.85 PDE9A (0.81) PDE9APDE1C
SCHEMBL7877644 0.85 PDE9A (0.84) PDE9APDE1C
SCHEMBL7885851 0.85 PDE9A (0.77) PDE9APDE1C
SCHEMBL7887101 0.84 PDE9A (0.83) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741907-B2 Alkyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 — — US disclosed
US-8741907-B2 Alkyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 — — US disclosed
US-8741907-B2 Alkyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 — — US disclosed
US-20110294834-A1 Alkyl-substituted pyrazolopyrimidines HENDRIX MARTIN (DE) 2011-12-01 — — US disclosed
US-20110294834-A1 Alkyl-substituted pyrazolopyrimidines HENDRIX MARTIN (DE) 2011-12-01 — — US disclosed
US-20110294834-A1 Alkyl-substituted pyrazolopyrimidines HENDRIX MARTIN (DE) 2011-12-01 — — US disclosed
US-8039477-B2 Substituted pyrazolo[3,4-d]pyrimidin-4-one compounds as phosphodiesterase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 — — US disclosed
US-8039477-B2 Substituted pyrazolo[3,4-d]pyrimidin-4-one compounds as phosphodiesterase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 — — US disclosed
US-8039477-B2 Substituted pyrazolo[3,4-d]pyrimidin-4-one compounds as phosphodiesterase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 — — US disclosed
US-20060111372-A1 Alkyl-substituted pyrazolopyrimidines BAYER HEALTHCARE AG (DE) 2006-05-25 — — US disclosed
EP-1534713-B1 ALKYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2006-01-11 — — EP disclosed
EP-1534713-A1 ALKYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2005-06-01 — — EP disclosed
WO-2004026876-A1 ALKYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-04-01 — — WO disclosed
WO-2004026876-A1 ALKYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-04-01 — — 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 (2 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-20110294834-A1 Alkyl-substituted pyrazolopyrimidines P2RX4, P2RX5, P2RY4 PDE9A 450/4885PDE1C 753/4885
US-20060111372-A1 Alkyl-substituted pyrazolopyrimidines P2RX4, P2RX5, P2RY4 PDE9A 450/4885PDE1C 753/4885

“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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