SCHEMBL1719418

SCHEMBL1719418

CCOC(=O)c1c(-c2cnc(SC)nc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LIPE Q05469 1/20 0.38
PIK3CD O00329 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MERTK Q12866 1/20 0.37
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
ABL1 P00519 2/20 0.36
SSTR5 P35346 1/20 0.36
FASN P49327 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
SCHEMBL1720034 0.89 IDH1 (0.42) IDH1BCHEACHELIPEPIK3CD
SCHEMBL1720036 0.88 IDH1 (0.38) IDH1BCHEACHELIPEPIK3CD
SCHEMBL1720271 0.87 IDH1 (0.40) IDH1HRH2HRH1PIK3CDMERTK
SCHEMBL1719337 0.87 ABL1 (0.43) IDH1HRH2HRH1PIK3CDPOLB
SCHEMBL1719723 0.83 CYP11B1 (0.46) ABL1
SCHEMBL1720060 0.82 MCHR1 (0.39) ACHEPIK3CD
SCHEMBL1719097 0.82 IDH1 (0.43) IDH1HRH2HRH1PIK3CDPOLB
SCHEMBL1719855 0.81 KDM4E (0.42) IDH1MEN1KMT2APOLB
SCHEMBL1719436 0.80 DAGLB (0.39) IDH1
SCHEMBL1719842 0.79 DHODH (0.43)

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-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
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 1715/4885HRH2 33/4885HRH1 70/4885

“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.