SCHEMBL2528957

SCHEMBL2528957

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 1.00
▸ PDE1C Q14123 2/20 0.61
▸ PDE1B Q01064 4/20 0.55
▸ KCNH2 Q12809 1/20 0.53
▸ PDE5A O76074 1/20 0.53

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
SCHEMBL12401082 0.99 PDE9A (0.98) PDE9APDE1CPDE1B
SCHEMBL7882627 0.90 PDE9A (0.82) PDE9APDE1C
SCHEMBL7888328 0.90 PDE9A (0.82) PDE9APDE1C
SCHEMBL12401030 0.90 PDE9A (0.81) PDE9APDE1CPDE1BPDE5A
SCHEMBL7890345 0.89 PDE9A (0.79) PDE9APDE1CPDE1B
SCHEMBL7989552 0.89 PDE9A (0.79) PDE9APDE1CPDE1B
SCHEMBL12401124 0.89 PDE9A (0.80) PDE9APDE1CPDE1B
SCHEMBL12401048 0.88 PDE9A (0.79) PDE9APDE1CPDE1BPDE5A
SCHEMBL7886923 0.86 PDE9A (0.76) PDE9APDE1CPDE1B
SCHEMBL2528553 0.84 PDE9A (0.73) PDE9APDE1CPDE1BPDE5A

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
WO-2017070293-A1 PHOSPHODIESTERASE 9 INHIBITOR AND LEVODOPA THERAPY IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 — — WO 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-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

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 753/4885PDE1B 342/4885
US-20060111372-A1 Alkyl-substituted pyrazolopyrimidines P2RX4, P2RX5, P2RY4 PDE9A 450/4885PDE1C 753/4885PDE1B 342/4885

“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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