Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720181

SCHEMBL1720181

SCHEMBL1720181

CCCCCCc1cccc(-c2nc(-c3ccnc(OC)c3)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ WDR5 P61964 1/20 0.36
▸ AXL P30530 2/20 0.36
▸ MERTK Q12866 2/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ AVPR1B P47901 1/20 0.35
▸ AVPR2 P30518 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ L3MBTL3 Q96JM7 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34

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) CYP2D6CYP2C19NPSR1HRH3KCNH2
SCHEMBL1719252 0.90 CYP2C9 (0.36) CYP2D6CYP2C19NPSR1HRH3AXL
SCHEMBL1719966 0.89 CYP2C9 (0.44) CYP2D6CYP2C19NPSR1HRH3CYP2C9
SCHEMBL1719238 0.88 AXL (0.38) CYP2D6CYP2C19NPSR1HRH3AXL
SCHEMBL1719376 0.86 CYP2C9 (0.47) AXLMERTKCYP2C9L3MBTL3L3MBTL1
SCHEMBL1719137 0.85 L3MBTL3 (0.39) AXLMERTKAVPR2AVPR1AL3MBTL3
SCHEMBL1719182 0.85 CYP2C9 (0.46) CYP2C9L3MBTL3L3MBTL1MAPTTDP1
SCHEMBL1719315 0.85 CYP2C9 (0.41) CYP2D6CYP2C19NPSR1AXLMERTK
SCHEMBL1720426 0.85 L3MBTL1 (0.41) CYP2C9AVPR2AVPR1AL3MBTL3L3MBTL1
SCHEMBL1719040 0.84 L3MBTL3 (0.43) AVPR2AVPR1AL3MBTL3L3MBTL1MAPT

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 9 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
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 CYP2D6 583/4885CYP2C19 794/4885NPSR1 334/4885

“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.