SCHEMBL1720164

SCHEMBL1720164

O=C(O)c1c(-c2ccnc(O)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
GRM2 Q14416 4/20 0.41
IDH1 O75874 4/20 0.41
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE4C Q08493 1/20 0.36
DHODH Q02127 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NTRK1 P04629 3/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL1720881 0.90 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CDHODH
SCHEMBL1719110 0.86 IDH1 (0.42) KDM5AKDM2BKDM4CKDM5BIDH1
SCHEMBL1719224 0.84 MCHR1 (0.39) GRM2
SCHEMBL1720076 0.82 ABL1 (0.42) IDH1
SCHEMBL1719856 0.82 CYP11B2 (0.47)
SCHEMBL1719828 0.81 IDH1 (0.47) IDH1GCGRGIPRAURKATPX2
SCHEMBL1719247 0.81 CYP11B2 (0.46)
SCHEMBL1719251 0.81 CYP11B2 (0.46)
SCHEMBL1719226 0.80 POLB (0.40) KDM5AKDM2BKDM4CKDM5BGRM2
SCHEMBL1720034 0.79 IDH1 (0.42) KDM5AKDM2BKDM4CKDM5BGRM2

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 KDM5A 2067/4885KDM2B 2513/4885KDM4C 2611/4885

“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.