SCHEMBL545118

SCHEMBL545118

N=C(N)c1cc(Oc2ccc3ccc(C(=O)Nc4ccc(CN)c(C(F)(F)F)c4)cc3c2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.51
BRAF P15056 3/20 0.51
MAPK14 Q16539 2/20 0.47
MAP3K20 Q9NYL2 2/20 0.47
SRC P12931 2/20 0.45
KDR P35968 3/20 0.45
GSK3B P49841 2/20 0.44
MEN1 O00255 1/20 0.44
PLK4 O00444 1/20 0.44
CIT O14578 1/20 0.44
AURKA O14965 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
MAPK13 O15264 1/20 0.44
MLNR O43193 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
DYRK3 O43781 1/20 0.44
PDE6D O43924 1/20 0.44
NR1I2 O75469 1/20 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
SCHEMBL545309 0.90 RAF1 (0.63) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL546218 0.85 BRAF (0.48) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL5416351 0.82 RAF1 (0.45) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL546081 0.80 KDR (0.43) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL5423039 0.80 BRAF (0.60) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL10199708 0.77 RAF1 (0.74) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL14493269 0.76 BRAF (0.82) RAF1BRAFSRCKDR
SCHEMBL546349 0.76 ABL1 (0.45) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL5418532 0.76 RAF1 (0.55) RAF1BRAFMAPK14MAP3K20SRC
SCHEMBL545646 0.76 RAF1 (0.56) RAF1BRAFMAPK14MAP3K20SRC

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 disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 RAF1 198/4885BRAF 215/4885MAPK14 278/4885

“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.