SCHEMBL2111034

SCHEMBL2111034

Cc1cccc(Cc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 0.78
▸ PDE1C Q14123 3/20 0.78

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
SCHEMBL2110599 0.89 PDE9A (0.77) PDE9APDE1C
SCHEMBL2109718 0.89 PDE9A (0.77) PDE9APDE1C
SCHEMBL2993340 0.88 PDE9A (1.00) PDE9APDE1C
SCHEMBL12401293 0.87 PDE9A (0.98) PDE9APDE1C
SCHEMBL12401053 0.86 PDE9A (0.73) PDE9APDE1C
SCHEMBL2110614 0.86 PDE9A (0.73) PDE9APDE1C
SCHEMBL12401120 0.85 PDE9A (0.71) PDE9APDE1C
SCHEMBL15417291 0.84 PDE9A (0.80) PDE9APDE1C
SCHEMBL2111377 0.83 PDE9A (0.72) PDE9APDE1C
SCHEMBL15417290 0.82 PDE9A (0.80) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-8158633-B2 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 — — US disclosed
US-8158633-B2 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 — — US disclosed
US-8158633-B2 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 — — US disclosed
US-20060106035-A1 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 — — US disclosed
WO-2004018474-A1 PHENYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-03-04 — — 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-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines P2RX4, P2RY4, P2RX5 PDE9A 328/4885PDE1C 315/4885
US-20060106035-A1 Phenyl-substituted pyrazolopyrimidines P2RX4, P2RY4, P2RX5 PDE9A 328/4885PDE1C 315/4885

“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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