SCHEMBL2078652

SCHEMBL2078652

O=C1Nc2ccccc2C1c1nc(Cl)nc2nn(C3CCCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL2077521 0.88 PDE9A (0.40) PDE9AAADAT
SCHEMBL2076197 0.86 USP2 (0.33) PDE9A
SCHEMBL2078521 0.85 PDE9A (0.36) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL13007213 0.84 PDE9A (0.31) PDE9A
SCHEMBL2076889 0.84 KMT2A (0.38) PDE9A
SCHEMBL2075455 0.84 AURKA (0.44) PDE9AKDM4E
SCHEMBL2078235 0.84 PDE9A (0.38) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2079417 0.83 ABL1 (0.38) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2078595 0.81 PDE9A (0.36) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2076976 0.81 OPRM1 (0.34) PDE9APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
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
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-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US 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
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 2783/4885PDE4A 2389/4885PDE4B 2138/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885PDE4A 1512/4885PDE4B 1296/4885

“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.