SCHEMBL1719259

SCHEMBL1719259

Cn1c(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(N)nc2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.43
MTOR P42345 13/20 0.43
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ATR Q13535 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1720380 0.92 ALOX5AP (0.43) KCNH2HRH3ATRL3MBTL3L3MBTL1
SCHEMBL1720130 0.90 HRH3 (0.41) KCNH2HRH3L3MBTL3L3MBTL1
SCHEMBL1719312 0.89 HRH3 (0.44) KCNH2HRH3L3MBTL3L3MBTL1
SCHEMBL1716978 0.87 HRH3 (0.42) PIK3CAMTORKCNH2HRH3L3MBTL3
SCHEMBL1719474 0.86 HRH3 (0.41) HRH3L3MBTL3L3MBTL1
SCHEMBL1719038 0.86 CYP2C9 (0.49) L3MBTL3L3MBTL1
SCHEMBL1719915 0.82 L3MBTL3 (0.43) L3MBTL3L3MBTL1
SCHEMBL1719495 0.80 PIK3CA (0.40) PIK3CAMTORHRH3ATRL3MBTL3
SCHEMBL1720478 0.79 CYP2C9 (0.46) L3MBTL3L3MBTL1
SCHEMBL1719569 0.79 PIK3CD (0.44) KCNH2HRH3L3MBTL3L3MBTL1

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 PIK3CA 4222/4885MTOR 4145/4885KCNH2 1032/4885

“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.