SCHEMBL1720037

SCHEMBL1720037

CN(c1ccccc1)C1(c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.58
PDE4B Q07343 13/20 0.58
PDE4C Q08493 13/20 0.58
PDE4D Q08499 13/20 0.58
ALDH1A1 P00352 1/20 0.37
CETP P11597 2/20 0.35
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
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3322406 0.75 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6397973 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1719878 0.74 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10709061 0.73 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10869789 0.71 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL292710 0.71 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL29824397 0.71 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL3326385 0.71 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3319161 0.71 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL1720035 0.70 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1

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.