SCHEMBL545333

SCHEMBL545333

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1Cc2cc(Oc3ccnc(C4=NCCN4)c3)ccc2CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.54
RAF1 P04049 7/20 0.54
KDR P35968 14/20 0.49
FLT1 P17948 2/20 0.47
MEN1 O00255 1/20 0.45
PLK4 O00444 1/20 0.45
CIT O14578 1/20 0.45
AURKA O14965 1/20 0.45
MUSK O15146 1/20 0.45
EPHB6 O15197 1/20 0.45
MAPK13 O15264 1/20 0.45
MLNR O43193 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
DYRK3 O43781 1/20 0.45
PDE6D O43924 1/20 0.45
NR1I2 O75469 1/20 0.45
STK10 O94804 1/20 0.45
CDK14 O94921 1/20 0.45
ABCB11 O95342 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
SCHEMBL547123 0.86 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545176 0.86 BRAF (0.52) BRAFRAF1KDRFLT1
SCHEMBL545791 0.86 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545179 0.86 BRAF (0.70) BRAFRAF1KDR
SCHEMBL545167 0.86 BRAF (0.52) BRAFRAF1KDRFLT1
Hydrochloric Acid SCHEMBL547568 0.85 BRAF (0.69) BRAFRAF1KDR
SCHEMBL545894 0.85 BRAF (0.58) BRAFRAF1KDRFLT1MEN1
SCHEMBL545614 0.84 RAF1 (0.54) BRAFRAF1KDRFLT1MEN1
SCHEMBL545846 0.84 RAF1 (0.55) BRAFRAF1KDRFLT1
SCHEMBL545934 0.83 RAF1 (0.75) BRAFRAF1KDRFLT1MEN1

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 7 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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
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
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 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.