SCHEMBL4466890

SCHEMBL4466890

O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(-c2cccc(C(F)(F)F)c2)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.61
MAPK14 Q16539 5/20 0.61
BRAF P15056 5/20 0.61
TNNI3K Q59H18 4/20 0.61
PLG P00747 2/20 0.48
PLAU P00749 2/20 0.48
PLAT P00750 2/20 0.48
RAF1 P04049 1/20 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
SRC P12931 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
SCHEMBL4477516 0.91 NPC1 (0.51) KDRMAPK14BRAFTNNI3KPLG
SCHEMBL4466760 0.86 KDR (0.70) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL9100139 0.85 KDR (0.60) KDRMAPK14BRAFTNNI3KPLG
SCHEMBL5724635 0.84 KDR (0.53) KDRMAPK14BRAFTNNI3KPLG
SCHEMBL4475028 0.82 PGR (0.52) KDRMAPK14RAF1AURKAJAK2
SCHEMBL4477734 0.81 RXFP1 (0.56) KDRMAPK14BRAFTNNI3KCDK8
SCHEMBL9106204 0.77 KDR (0.65) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL9101092 0.77 KDR (0.49) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL3177619 0.76 KDR (1.00) KDRMAPK14BRAFTNNI3KRAF1
SCHEMBL9098846 0.75 KDR (0.49) KDRMAPK14BRAFTNNI3KRAF1

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
EP-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
US-7598274-B2 N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors MERCK PATENT GMBH (DE) 2009-10-06 US disclosed
US-20070149594-A1 Pyrrole derivatives MERCK PATENT GMBH (DE) 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-20070149594-A1 Pyrrole derivatives RAF1, BRAF, ARAF KDR 2076/4885MAPK14 496/4885BRAF 2/4885

“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.