SCHEMBL3674311

SCHEMBL3674311

COc1ccc2c(Cl)cc(-c3nc(C(F)(F)F)cs3)nc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.37
PDE4A P27815 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
PDE11A Q9HCR9 1/20 0.37
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PTGES O14684 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SCN9A Q15858 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
SCHEMBL7996053 0.90 KDM4E (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL313131 0.89 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL8003756 0.89 KDM4E (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL996629 0.81 ALDH1A1 (0.33) PDE4BPDE4APDE4CPDE4DCYP19A1
SCHEMBL3672299 0.80 FPR2 (0.36) PDE4DCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL577889 0.79 KDM4E (0.32) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7993028 0.78 KDM4E (0.38) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL8006684 0.77 NPC1 (0.37) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL15216086 0.76 PDE4B (0.35) PDE4BMAPTKDM4ENPC1LMNA
SCHEMBL312942 0.76 ALDH1A1 (0.35) PDE4BPDE4APDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393493-A1 COMPOUNDS GlaxoSmithKline LLC (US) 2011-12-14 EP disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 WO 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-20100196321-A1 COMPOUNDS HAVCR2, ACE, ACE2 PDE4B 1867/4885PDE4A 2279/4885PDE4C 2327/4885

“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.