SCHEMBL546211

SCHEMBL546211

CNC(=O)c1cc(Oc2ccc3ccc(C(=O)Nc4cc(OCCN5CCCC5)cc(C(F)(F)F)c4)cc3c2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.68
FGFR1 P11362 1/20 0.51
MAPK14 Q16539 4/20 0.50
BRAF P15056 11/20 0.48
RAF1 P04049 7/20 0.48
KCNH2 Q12809 1/20 0.48
MAP3K20 Q9NYL2 2/20 0.47
SRC P12931 2/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 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
RET P07949 1/20 0.47
ROS1 P08922 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
SCHEMBL545035 0.91 KDR (0.70) KDRFGFR1MAPK14BRAFRAF1
SCHEMBL5426983 0.89 KDR (0.53) KDRFGFR1BRAFKCNH2SRC
SCHEMBL546280 0.88 KDR (0.53) KDRFGFR1BRAFRAF1SRC
SCHEMBL5420350 0.87 KDR (0.52) KDRFGFR1BRAFKCNH2ABL1
SCHEMBL546399 0.86 KDR (0.56) KDRMAPK14BRAFRAF1KCNH2
SCHEMBL5438836 0.85 KDR (0.54) KDRFGFR1BRAF
SCHEMBL10199786 0.84 KDR (0.51) KDRFGFR1BRAFKCNH2SRC
SCHEMBL545944 0.82 BRAF (0.53) KDRBRAFHTR2AHTR2C
SCHEMBL5438830 0.82 KDR (0.62) KDRFGFR1MAPK14BRAFRAF1
SCHEMBL546100 0.82 KDR (0.49) KDRFGFR1BRAFKCNH2SRC

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-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

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 1264/4885FGFR1 580/4885MAPK14 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.