SCHEMBL1720022

SCHEMBL1720022

CCCCCCc1cccc(-c2nc(-c3ccc(Cl)nc3)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.37
MERTK Q12866 3/20 0.37
PIK3CD O00329 1/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
IKBKB O14920 1/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 3/20 0.35
MBTD1 Q05BQ5 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
SCHEMBL1720778 0.90 KCNH2 (0.38) AXLMERTKPIK3CDACACBACACA
SCHEMBL1719252 0.90 CYP2C9 (0.36) AXLMERTKL3MBTL3L3MBTL1HRH3
SCHEMBL1719376 0.89 CYP2C9 (0.47) AXLMERTKACACBACACAL3MBTL3
SCHEMBL1719238 0.88 AXL (0.38) AXLMERTKACACBACACAL3MBTL3
SCHEMBL1720426 0.88 L3MBTL1 (0.41) ACACBACACAL3MBTL3L3MBTL1CYP2C9
SCHEMBL1719315 0.88 CYP2C9 (0.41) AXLMERTKACACBACACAL3MBTL3
SCHEMBL1719040 0.87 L3MBTL3 (0.43) ACACBACACAL3MBTL3L3MBTL1MAPT
SCHEMBL1719966 0.87 CYP2C9 (0.44) ACACBACACAL3MBTL3L3MBTL1HRH3
SCHEMBL1719137 0.85 L3MBTL3 (0.39) AXLMERTKACACBACACAL3MBTL3
SCHEMBL1719182 0.85 CYP2C9 (0.46) ACACBACACAL3MBTL3L3MBTL1CYP2C9

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 12 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
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
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
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 AXL 489/4885MERTK 513/4885PIK3CD 3923/4885

“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.