SCHEMBL3983997

SCHEMBL3983997

Nc1nccc(Oc2cccc(CCNC(=O)c3cc(C(F)(F)F)ccc3F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
GPR52 Q9Y2T5 2/20 0.45
MGLL Q99685 2/20 0.43
SCN9A Q15858 2/20 0.41
ROCK1 Q13464 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
FAAH O00519 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
LCK P06239 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39

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
SCHEMBL14273260 0.87 GPR52 (0.49) GPR52MGLLPPARGPPARDPPARA
SCHEMBL3989075 0.80 GPR52 (0.50) KDRGPR52PPARGPPARDPPARA
SCHEMBL5129564 0.78 GPR52 (0.44) KDRGPR52MGLLPPARGPPARD
SCHEMBL14273279 0.73 CDK8 (0.51) KDRGPR52ROCK1KDM4EALDH1A1
SCHEMBL4111233 0.73 RAF1 (0.41) GPR52MGLLFAAHRAF1KDM4E
SCHEMBL14273368 0.71 TRPV1 (0.45) PPARGRAF1
SCHEMBL3986245 0.70 CDK8 (0.50) KDRGPR52ROCK1ALDH1A1
SCHEMBL920754 0.69 KCNQ3 (0.51) PPARGPPARDPPARAKDM4E
SCHEMBL5128961 0.69 RAF1 (0.57) KDRFLT1FLT4RETPDGFRB
SCHEMBL14273275 0.68 RAF1 (0.47) RETGPR52RAF1

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 5 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
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 KDR 1073/4885FLT1 1857/4885FLT4 1522/4885

“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.