SCHEMBL1719110

SCHEMBL1719110

O=C(O)c1c(-c2ccc(O)nc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.42
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
DAGLB Q8NCG7 2/20 0.35
DAGLA Q9Y4D2 2/20 0.35
PIK3CD O00329 1/20 0.35
MDM2 Q00987 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
NTRK1 P04629 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
ABL1 P00519 2/20 0.35
MERTK Q12866 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
SCHEMBL1720876 0.90 PDE4A (0.41) MDM2
SCHEMBL1720271 0.89 IDH1 (0.40) IDH1PIK3CDABL1MERTK
SCHEMBL1720164 0.86 KDM5A (0.42) IDH1AURKATPX2KDM5AKDM2B
SCHEMBL1720076 0.86 ABL1 (0.42) IDH1ABL1
SCHEMBL1719856 0.85 CYP11B2 (0.47) ABL1
SCHEMBL1720034 0.85 IDH1 (0.42) IDH1KDM5AKDM2BKDM4CKDM5B
SCHEMBL1719247 0.84 CYP11B2 (0.46) ABL1
SCHEMBL1719251 0.84 CYP11B2 (0.46) ABL1
SCHEMBL1724292 0.84 MCHR1 (0.38) PIK3CD
SCHEMBL15075656 0.82 DAGLB (0.41) IDH1DAGLBDAGLA

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 7 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
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP 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
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 IDH1 1715/4885AURKA 2835/4885TPX2 1373/4885

“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.