SCHEMBL3989075

SCHEMBL3989075

CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3cc(C(F)(F)F)ccc3F)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.50
BRAF P15056 7/20 0.49
NR3C2 P08235 1/20 0.43
MAPK14 Q16539 2/20 0.43
KDR P35968 3/20 0.43
RIPK2 O43353 1/20 0.43
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42

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
SCHEMBL3984127 0.87 GPR52 (0.52) GPR52BRAFNR3C2MAPK14KDR
SCHEMBL14273260 0.86 GPR52 (0.49) GPR52NR3C2MAPK14PPARGPPARD
SCHEMBL3986272 0.85 NR3C2 (0.45) GPR52BRAFNR3C2MAPK14KDR
SCHEMBL5115943 0.82 BRAF (0.44) GPR52BRAFNR3C2KDR
SCHEMBL5129564 0.82 GPR52 (0.44) GPR52BRAFMAPK14KDRPPARG
SCHEMBL3983997 0.80 KDR (0.51) GPR52KDRPPARGPPARDPPARA
SCHEMBL4293095 0.79 GRM5 (0.49) BRAFNR3C2
SCHEMBL4115551 0.79 BRAF (0.50) GPR52BRAFNR3C2MAPK14KDR
SCHEMBL3994618 0.79 RAF1 (0.54) BRAFKDR
SCHEMBL3991944 0.79 GRM5 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 GPR52 1892/4885BRAF 242/4885NR3C2 3563/4885

“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.