SCHEMBL545214

SCHEMBL545214

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CC3)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.57
RAF1 P04049 12/20 0.57
KDR P35968 5/20 0.47
EGFR P00533 5/20 0.47
RET P07949 4/20 0.47
EPHA2 P29317 4/20 0.47
MAPK14 Q16539 4/20 0.47
DDR2 Q16832 4/20 0.47
LCK P06239 3/20 0.47
KCNH2 Q12809 3/20 0.47
ABL1 P00519 3/20 0.45
RIPK2 O43353 2/20 0.45
ABCB11 O95342 2/20 0.45
HTR1A P08908 2/20 0.45
PDGFRB P09619 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
KIT P10721 2/20 0.45
FGFR1 P11362 2/20 0.45
PDGFRA P16234 2/20 0.45
FLT1 P17948 2/20 0.45

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
SCHEMBL544539 0.94 BRAF (0.57) BRAFRAF1KDREGFRRET
SCHEMBL545806 0.90 BRAF (0.69) BRAFRAF1KDREGFRRET
SCHEMBL545358 0.89 BRAF (0.59) BRAFRAF1KDREGFRRET
SCHEMBL5422251 0.88 BRAF (0.52) BRAFRAF1KDREGFRRET
SCHEMBL545739 0.88 BRAF (0.49) BRAFRAF1KDREGFRRET
SCHEMBL545630 0.87 BRAF (0.53) BRAFRAF1KDREGFRRET
SCHEMBL545059 0.87 BRAF (0.62) BRAFRAF1KDREGFRRET
SCHEMBL545801 0.87 RAF1 (0.56) BRAFRAF1KDREGFRRET
SCHEMBL545462 0.87 BRAF (0.52) BRAFRAF1KDREGFRRET
SCHEMBL545468 0.86 BRAF (0.49) BRAFRAF1KDREGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 BRAF 215/4885RAF1 198/4885KDR 1264/4885

“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.