Sugi Predict

Sugi Predict / Compounds / SCHEMBL1719607

SCHEMBL1719607

SCHEMBL1719607

Cn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2ccncc2)c1C(=O)N1CCC(N2CCC[C@@H]2CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ MAP3K7 O43318 1/20 0.36
▸ TAB1 Q15750 1/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HASPIN Q8TF76 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KIT P10721 2/20 0.35
▸ CCKAR P32238 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL1719125 1.00 HCRTR1 (0.37) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1719087 1.00 HCRTR1 (0.37) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720343 0.93 KIT (0.40) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720345 0.93 KIT (0.40) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1719834 0.92 MAP3K7 (0.38) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1719253 0.92 MAP3K7 (0.38) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720468 0.92 MAP3K7 (0.38) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720097 0.89 HCRTR1 (0.39) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720101 0.89 HCRTR1 (0.39) HCRTR1HCRTR2SLC6A7MAP3K7TAB1
SCHEMBL1720433 0.88 HCRTR1 (0.39) HCRTR1HCRTR2SLC6A7MAP3K7TAB1

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 HCRTR1 195/4885HCRTR2 139/4885SLC6A7 1808/4885

“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.