SCHEMBL1720656

SCHEMBL1720656

COc1ccc(C(C)Nc2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.54
PDE4B Q07343 12/20 0.54
PDE4C Q08493 12/20 0.54
PDE4D Q08499 12/20 0.54
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCL6 P41182 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL1720319 0.82 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1720465 0.79 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DBCL6
SCHEMBL3327174 0.76 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL1719903 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL1719680 0.75 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL1719398 0.74 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3326728 0.72 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326716 0.72 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL6397973 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL29824397 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 EP disclosed
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 US disclosed
EP-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 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-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4A 1428/4885PDE4B 1709/4885PDE4C 1814/4885

“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.