SCHEMBL1719458

SCHEMBL1719458

O=C(c1c(-c2cncnc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
MCHR1 Q99705 2/20 0.38
HTR2B P41595 1/20 0.38
MAPK7 Q13164 2/20 0.37
MBTD1 Q05BQ5 4/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
MCHR2 Q969V1 1/20 0.37
ABL1 P00519 2/20 0.37
CYP2C9 P11712 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
EPHX2 P34913 1/20 0.36
PIK3CD O00329 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 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
SCHEMBL1719037 0.91 CYP2C9 (0.46) L3MBTL3L3MBTL1HTR2BABL1CYP2C9
SCHEMBL1719200 0.91 MCHR1 (0.39) L3MBTL3L3MBTL1MCHR1HTR2BMBTD1
SCHEMBL1720511 0.90 CYP2C9 (0.40) L3MBTL3L3MBTL1MCHR1L3MBTL4CYP2C9
SCHEMBL1719441 0.90 ABL1 (0.39) L3MBTL3L3MBTL1MCHR1HTR2BMCHR2
SCHEMBL1720233 0.90 MCHR1 (0.39) L3MBTL3L3MBTL1MCHR1HTR2BMAPK7
SCHEMBL1724292 0.88 MCHR1 (0.38) L3MBTL3L3MBTL1MCHR1HTR2BMBTD1
SCHEMBL1719366 0.88 PIK3CD (0.42) L3MBTL3L3MBTL1MCHR1HTR2BMBTD1
SCHEMBL1720060 0.88 MCHR1 (0.39) L3MBTL3L3MBTL1MCHR1HTR2BMAPK7
SCHEMBL1719495 0.87 PIK3CA (0.40) L3MBTL3L3MBTL1MCHR1MCHR2
SCHEMBL1719718 0.86 EPHX2 (0.37) HTR2BMAPK7ABL1DGAT2EPHX2

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
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
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 L3MBTL3 3062/4885L3MBTL1 3575/4885MCHR1 161/4885

“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.