SCHEMBL1719441

SCHEMBL1719441

Nc1ncc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n(C3CC3)c2C(=O)N2CCC(N3CCCC3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
AKT1 P31749 1/20 0.38
MCHR1 Q99705 2/20 0.38
ATR Q13535 1/20 0.38
MCHR2 Q969V1 1/20 0.38
MET P08581 2/20 0.37
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
L3MBTL3 Q96JM7 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SCN9A Q15858 2/20 0.37
HTR2B P41595 1/20 0.37
ACHE P22303 1/20 0.36
STAT3 P40763 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL1719495 0.93 PIK3CA (0.40) PIK3CAMTORMCHR1ATRMCHR2
SCHEMBL1719200 0.92 MCHR1 (0.39) MCHR1MCHR2L3MBTL3L3MBTL1SCN9A
SCHEMBL1724292 0.90 MCHR1 (0.38) MCHR1MCHR2L3MBTL3L3MBTL1SCN9A
SCHEMBL1719458 0.90 L3MBTL3 (0.39) ABL1MCHR1MCHR2L3MBTL3L3MBTL1
SCHEMBL1720060 0.90 MCHR1 (0.39) PIK3CAMTORMCHR1MCHR2L3MBTL3
SCHEMBL1719366 0.87 PIK3CD (0.42) MCHR1MCHR2L3MBTL3L3MBTL1HTR2B
SCHEMBL1719037 0.86 CYP2C9 (0.46) ABL1L3MBTL3L3MBTL1HTR2BACHE
SCHEMBL1719224 0.85 MCHR1 (0.39) MCHR1MCHR2L3MBTL3L3MBTL1SCN9A
SCHEMBL1719410 0.84 HTR2B (0.40) MCHR1MCHR2L3MBTL3L3MBTL1HTR2B
SCHEMBL1719220 0.84 HTR2B (0.38) MCHR1MCHR2L3MBTL3L3MBTL1DPP4

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 14 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 claimed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP claimed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US claimed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US claimed
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
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
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US 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 ABL1 1679/4885PIK3CA 4222/4885MTOR 4145/4885

“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.