SCHEMBL2109718

SCHEMBL2109718

O=c1[nH]c(Cc2cccc(Cl)c2)nc2c1cnn2C1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.77
PDE1C Q14123 2/20 0.77
ACHE P22303 1/20 0.54

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
SCHEMBL7882239 0.91 PDE9A (0.78) PDE9APDE1C
SCHEMBL2107609 0.89 PDE9A (0.72) PDE9APDE1C
SCHEMBL6369150 0.89 PDE9A (0.62) PDE9APDE1C
SCHEMBL2111034 0.89 PDE9A (0.78) PDE9APDE1C
SCHEMBL2112818 0.88 PDE9A (0.59) PDE9APDE1C
SCHEMBL2110599 0.88 PDE9A (0.77) PDE9APDE1CACHE
SCHEMBL2993340 0.87 PDE9A (1.00) PDE9APDE1CACHE
SCHEMBL2111377 0.87 PDE9A (0.72) PDE9APDE1C
SCHEMBL12401293 0.86 PDE9A (0.98) PDE9APDE1CACHE
SCHEMBL15417302 0.86 PDE9A (0.68) 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 13 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-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20060106035-A1 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 US disclosed
EP-1534711-B1 PHENYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2006-04-19 EP disclosed
EP-1534711-A1 PHENYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2005-06-01 EP disclosed
WO-2004018474-A1 PHENYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-03-04 WO 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 (3 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE9A 6/4885PDE1C 101/4885ACHE 5/4885
US-20120165349-A1 Phenyl-Substituted Pyrazolopyrimidines P2RX4, P2RY4, P2RX5 PDE9A 328/4885PDE1C 315/4885ACHE 310/4885
US-20060106035-A1 Phenyl-substituted pyrazolopyrimidines P2RX4, P2RY4, P2RX5 PDE9A 328/4885PDE1C 315/4885ACHE 310/4885

“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.