SCHEMBL2079322

SCHEMBL2079322

N#Cc1cccc2c1NC(=O)C2c1ncnc2c1cnn2C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 16/20 0.37
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
PDE1C Q14123 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
RET P07949 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL2078784 0.99 PDE9A (0.37) PDE9ASLC2A1SLC2A2SLC2A3PDE1C
SCHEMBL2075444 0.81 CHEK1 (0.48) PDE9ASLC2A1SLC2A2SLC2A3ABL1
SCHEMBL2078497 0.81 PDE9A (0.48) PDE9ASLC2A1SLC2A2SLC2A3PDE1C
SCHEMBL2078788 0.81 SLC2A1 (0.48) SLC2A1SLC2A2SLC2A3EGFR
SCHEMBL2075109 0.81 CHEK1 (0.47) PDE9ASLC2A1SLC2A2SLC2A3ABL1
SCHEMBL2078197 0.80 RET (0.43) PDE9ASLC2A1SLC2A2SLC2A3ABL1
SCHEMBL2078285 0.80 ABL1 (0.34) ABL1BCR
SCHEMBL3780059 0.79 RET (0.42) PDE9ASLC2A1SLC2A2SLC2A3ABL1
SCHEMBL2076325 0.78 PDE9A (0.45) PDE9ARET
SCHEMBL2079394 0.76 ABL1 (0.36) PDE9ASLC2A1SLC2A2SLC2A3PDE1C

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
CN-101448822-A Substituted pyrazolopyrimidines KYOCERA CORP (US) 2009-06-03 CN disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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 (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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 PDE9A 2783/4885SLC2A1 1500/4885SLC2A2 1937/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885SLC2A1 1605/4885SLC2A2 1922/4885

“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.