SCHEMBL545887

SCHEMBL545887

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
RXFP1 Q9HBX9 1/20 0.51
RAF1 P04049 2/20 0.49
MAPT P10636 1/20 0.47
BRAF P15056 6/20 0.47
AURKA O14965 2/20 0.47
RET P07949 2/20 0.47
MAPK14 Q16539 2/20 0.47
TNNI3K Q59H18 2/20 0.47
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
LYN P07948 1/20 0.47
ROS1 P08922 1/20 0.47
SRC P12931 1/20 0.47
RPS6KB1 P23443 1/20 0.47

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
SCHEMBL10199859 0.89 BRAF (0.43) KDRRXFP1RAF1MAPTBRAF
SCHEMBL545910 0.88 MAPT (0.44) KDRMAPTTEKPLGPLAU
SCHEMBL10263298 0.87 FDPS (0.46) KDRBRAFKITFLT1FDPS
SCHEMBL5431873 0.87 BRAF (0.46) KDRRAF1BRAFLCKFYN
SCHEMBL10199947 0.86 BRAF (0.47) KDRBRAFFLT1TEK
SCHEMBL10199733 0.85 KDR (0.42) KDRRAF1BRAFFLT1FDPS
SCHEMBL10199956 0.85 RAF1 (0.49) KDRRAF1MAPTBRAFFLT1
SCHEMBL545637 0.85 KDR (0.52) KDRRAF1BRAFAURKARET
SCHEMBL546099 0.84 KDR (0.44) KDRBRAFSYKFGFR1
SCHEMBL545010 0.84 KDR (0.50) KDRRAF1BRAFAURKARET

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 6 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-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 KDR 1264/4885RXFP1 4811/4885RAF1 198/4885

“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.