SCHEMBL1720060

SCHEMBL1720060

CSc1ncc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n(C3CC3)c2C(=O)N2CCC(N3CCCC3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.39
MCHR2 Q969V1 1/20 0.38
SCN9A Q15858 3/20 0.36
PIK3CD O00329 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MAPT P10636 1/20 0.35
HTR2B P41595 1/20 0.35
STAT3 P40763 1/20 0.35
ACHE P22303 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MAPK7 Q13164 3/20 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
SCHEMBL1720242 0.91 CYP2D6 (0.39) MCHR1SCN9AL3MBTL3L3MBTL1
SCHEMBL1719200 0.90 MCHR1 (0.39) MCHR1MCHR2SCN9APIK3CDL3MBTL3
SCHEMBL1719441 0.90 ABL1 (0.39) MCHR1MCHR2SCN9AL3MBTL3L3MBTL1
SCHEMBL1724292 0.88 MCHR1 (0.38) MCHR1MCHR2SCN9APIK3CDL3MBTL3
SCHEMBL1719458 0.88 L3MBTL3 (0.39) MCHR1MCHR2PIK3CDL3MBTL3L3MBTL1
SCHEMBL1719495 0.87 PIK3CA (0.40) MCHR1MCHR2L3MBTL3L3MBTL1PIK3CA
SCHEMBL1719366 0.85 PIK3CD (0.42) MCHR1MCHR2PIK3CDL3MBTL3L3MBTL1
SCHEMBL1720034 0.84 IDH1 (0.42) PIK3CDACHE
SCHEMBL1719037 0.84 CYP2C9 (0.46) L3MBTL3L3MBTL1HTR2BACHE
SCHEMBL1719482 0.84 MCHR1 (0.44) 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 10 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
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 MCHR1 161/4885MCHR2 142/4885SCN9A 3306/4885

“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.