SCHEMBL1720095

SCHEMBL1720095

Fc1ccc(C2(Nc3nc4nc(N5CCNCC5)nc(N5CCCC5)c4nc3Cl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.58
PDE4B Q07343 14/20 0.58
PDE4C Q08493 14/20 0.58
PDE4D Q08499 14/20 0.58
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
SRC P12931 1/20 0.33
PDE2A O00408 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
SCHEMBL1720470 0.91 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL1719878 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL1719903 0.89 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL1719680 0.76 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL6397973 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL29824397 0.73 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL292710 0.73 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3321333 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL5200820 0.73 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL1720465 0.73 PDE4A (0.56) 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 4 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
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.