SCHEMBL3987388

SCHEMBL3987388

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3cc(CN4CCNCC4)cc(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
RAF1 P04049 5/20 0.47
BRAF P15056 5/20 0.47
CHRM3 P20309 6/20 0.45
DDR1 Q08345 1/20 0.45
MAPK14 Q16539 3/20 0.44
DDR2 Q16832 1/20 0.44
KCNH2 Q12809 1/20 0.44
SRC P12931 2/20 0.43
RET P07949 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
LYN P07948 1/20 0.43
ROS1 P08922 1/20 0.43

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
SCHEMBL3984661 0.93 KDR (0.49) KDRRAF1BRAFMAPK14KCNH2
SCHEMBL3986383 0.92 MAPK14 (0.54) KDRRAF1BRAFDDR1MAPK14
SCHEMBL3991529 0.84 KDR (0.51) KDRRAF1BRAFMAPK14DDR2
SCHEMBL3984513 0.84 KDR (0.54) KDRRAF1BRAFMAPK14KCNH2
SCHEMBL3984330 0.83 KDR (0.67) KDRRAF1BRAFMAPK14KCNH2
SCHEMBL4107333 0.78 CHRM3 (0.50) RAF1CHRM3
SCHEMBL14266602 0.77 RAF1 (0.53) KDRRAF1BRAFMAPK14SRC
SCHEMBL3990381 0.77 KDR (0.55) KDRRAF1BRAFMAPK14SRC
SCHEMBL14266586 0.77 BRAF (0.51) KDRRAF1BRAFMAPK14SRC
SCHEMBL14273332 0.77 GPR52 (0.44) KDRRAF1BRAFMAPK14KCNH2

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-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
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 1073/4885RAF1 251/4885BRAF 242/4885

“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.