SCHEMBL3095331

SCHEMBL3095331

CCc1ccccc1Oc1nc2nc(Cl)nc(N3CCC3)c2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.45
PDE4B Q07343 12/20 0.45
PDE4C Q08493 12/20 0.45
PDE4D Q08499 12/20 0.45
TRPC5 Q9UL62 1/20 0.36
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL357498 0.75 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL291929 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1719503 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL3322669 0.68 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL291770 0.68 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL6395827 0.67 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL15876482 0.67 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3957428 0.67 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL3322021 0.66 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL15876480 0.66 PDE4A (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle BOEHRINGER INGELHEIM INTERNATIONL GMBH (DE) 2010-09-16 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 (1 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-20100234347-A1 Substituted Pteridines substituted with a Four-Membered Heterocycle UACA, LTC4S, PMP22 PDE4A 1509/4885PDE4B 1446/4885PDE4C 1569/4885

“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.