SCHEMBL1720876

SCHEMBL1720876

O=C(O)c1c(-c2ccc(O)nc2)nc(-c2cccc(OC(F)(F)F)c2)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
DHODH Q02127 6/20 0.41
PDE4C Q08493 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
SLC6A7 Q99884 1/20 0.38
MDM2 Q00987 2/20 0.37
PIM1 P11309 2/20 0.37
GRM2 Q14416 1/20 0.37
DYRK1A Q13627 2/20 0.37
XDH P47989 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
SCHEMBL1719110 0.90 IDH1 (0.42) MDM2
SCHEMBL1720881 0.87 PDE4A (0.46) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1719655 0.86 DYRK1A (0.45) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1719659 0.86 DYRK1A (0.45) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1719887 0.85 SLC6A7 (0.40) PDE4APDE4BPDE4DSLC6A7
SCHEMBL1719842 0.85 DHODH (0.43) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1719851 0.85 DHODH (0.43) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1719864 0.81 PDE4A (0.44) PDE4APDE4BPDE4DDHODHPDE4C
SCHEMBL1720205 0.81 SLC6A7 (0.37) PDE4APDE4BPDE4DSLC6A7PIM1
SCHEMBL1720208 0.81 SLC6A7 (0.37) PDE4APDE4BPDE4DSLC6A7PIM1

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
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
CN-101687844-A Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 PDE4A 982/4885PDE4B 724/4885PDE4D 1053/4885

“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.