SCHEMBL545801

SCHEMBL545801

CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(OC(F)(F)F)cc2)CC3)ccn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.56
EPHX2 P34913 2/20 0.56
BRAF P15056 18/20 0.54
EGFR P00533 2/20 0.48
LCK P06239 2/20 0.48
RET P07949 2/20 0.48
EPHA2 P29317 2/20 0.48
KDR P35968 2/20 0.48
MAPK14 Q16539 2/20 0.48
DDR2 Q16832 2/20 0.48
KCNH2 Q12809 4/20 0.47
ABL1 P00519 1/20 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
SCHEMBL545358 0.92 BRAF (0.59) RAF1BRAFEGFRLCKRET
SCHEMBL545995 0.92 BRAF (0.52) RAF1EPHX2BRAFEGFRLCK
SCHEMBL545630 0.90 BRAF (0.53) RAF1BRAFEGFRLCKRET
SCHEMBL5429595 0.90 BRAF (0.51) RAF1EPHX2BRAFEGFRLCK
SCHEMBL545462 0.90 BRAF (0.52) RAF1BRAFEGFRLCKRET
SCHEMBL546007 0.89 BRAF (0.51) RAF1BRAFEGFRLCKRET
SCHEMBL546005 0.89 BRAF (0.53) RAF1BRAFEGFRLCKRET
SCHEMBL545680 0.89 BRAF (0.51) RAF1BRAFEGFRLCKRET
SCHEMBL546161 0.89 BRAF (0.51) RAF1BRAFEGFRLCKRET
SCHEMBL545415 0.89 BRAF (0.54) RAF1BRAFKDRMAPK14

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 RAF1 198/4885EPHX2 2205/4885BRAF 215/4885

“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.