SCHEMBL5116608

SCHEMBL5116608

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3cc(F)c(F)cc3Cl)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.55
RAF1 P04049 6/20 0.55
RET P07949 4/20 0.48
KDR P35968 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
ABL1 P00519 3/20 0.44
EPHA2 P29317 3/20 0.44
MAPK14 Q16539 3/20 0.44
MAP3K20 Q9NYL2 3/20 0.44
RIPK2 O43353 2/20 0.44
ABCB11 O95342 2/20 0.44
HTR1A P08908 2/20 0.44
PDGFRB P09619 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
KIT P10721 2/20 0.44
FGFR1 P11362 2/20 0.44

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
SCHEMBL3989068 0.95 BRAF (0.55) BRAFRAF1RETKDRNPC1
SCHEMBL14266587 0.88 BRAF (0.53) BRAFRAF1RETKDRNPC1
SCHEMBL5123391 0.88 RAF1 (0.53) BRAFRAF1RETKDRALDH1A1
SCHEMBL14266575 0.88 BRAF (0.54) BRAFRAF1RETKDRNPC1
SCHEMBL3985943 0.88 BRAF (0.56) BRAFRAF1RETKDRNPC1
SCHEMBL3991170 0.87 BRAF (0.51) BRAFRAF1RETKDRNPC1
SCHEMBL14266605 0.86 BRAF (0.55) BRAFRAF1RETKDRNPC1
SCHEMBL14266598 0.86 BRAF (0.55) BRAFRAF1RETKDRHPGD
SCHEMBL3992255 0.86 BRAF (0.53) BRAFRAF1RETKDRNPC1
SCHEMBL14266592 0.85 BRAF (0.51) BRAFRAF1RETKDRRAB9A

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
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

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 BRAF 242/4885RAF1 251/4885RET 491/4885

“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.