SCHEMBL1719253

SCHEMBL1719253

Cn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PIM1 P11309 2/20 0.36
GRM2 Q14416 1/20 0.36
USP30 Q70CQ3 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
ITK Q08881 1/20 0.35
SLC6A7 Q99884 1/20 0.35
KIT P10721 2/20 0.35
CCKAR P32238 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
MGLL Q99685 1/20 0.34
CHRM3 P20309 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
SCHEMBL1719834 1.00 MAP3K7 (0.38) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1720468 1.00 MAP3K7 (0.38) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1720343 0.94 KIT (0.40) MAP3K7TAB1HCRTR1HCRTR2USP30
SCHEMBL1720345 0.94 KIT (0.40) MAP3K7TAB1HCRTR1HCRTR2USP30
SCHEMBL1719087 0.92 HCRTR1 (0.37) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1719125 0.92 HCRTR1 (0.37) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1719607 0.92 HCRTR1 (0.37) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1720097 0.88 HCRTR1 (0.39) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1720101 0.88 HCRTR1 (0.39) MAP3K7TAB1HCRTR1HCRTR2PIM1
SCHEMBL1720433 0.87 HCRTR1 (0.39) MAP3K7TAB1HCRTR1HCRTR2PIM1

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 6 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
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

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 MAP3K7 1145/4885TAB1 3128/4885HCRTR1 195/4885

“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.