SCHEMBL18285306

SCHEMBL18285306

CC(C)c1nccn1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 10/20 0.51
MCHR1 Q99705 4/20 0.42
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RIPK1 Q13546 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
SCHEMBL18285360 0.90 P2RY14 (0.40) P2RY14ALOX5APFEN1PDE4APDE4B
SCHEMBL18286354 0.89 P2RX3 (0.40) P2RY14RAF1BRAFPDE4APDE4B
SCHEMBL18285299 0.88 CNR1 (0.43) P2RY14PDE4APDE4BPDE4CPDE4D
SCHEMBL18285301 0.86 P2RY14 (0.37) P2RY14RAF1BRAFALOX5APFEN1
SCHEMBL18285291 0.86 P2RY14 (0.52) P2RY14MCHR1RAF1BRAFALOX5AP
SCHEMBL18285335 0.85 P2RY14 (0.52) P2RY14MCHR1RAF1BRAFALOX5AP
SCHEMBL18285340 0.84 KMO (0.36) P2RY14RAF1BRAFALOX5APFEN1
SCHEMBL18285312 0.84 WDR5 (0.38) P2RY14RAF1BRAFPDE4APDE4B
SCHEMBL18285365 0.84 P2RY14 (0.39) P2RY14PDE4APDE4BPDE4CPDE4D
SCHEMBL18706001 0.84 P2RY14 (0.53) P2RY14MCHR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN claimed
EP-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP claimed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP claimed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 WO claimed
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3303299-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-24 EP disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-10029989-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 WO disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 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 (2 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-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 P2RY14 3572/4885MCHR1 43/4885RAF1 810/4885
US-10029989-B2 Imidazole derivatives DRD3, GABRR3, DRD4 P2RY14 3572/4885MCHR1 43/4885RAF1 810/4885

“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.