SCHEMBL2212924

SCHEMBL2212924

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccco4)nn3-c3ccccc3)cc2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.62
MAPK14 Q16539 5/20 0.62
RAF1 P04049 8/20 0.53
EPHX2 P34913 3/20 0.53
KDR P35968 6/20 0.51
PLK4 O00444 3/20 0.51
MAP4K4 O95819 3/20 0.51
ABL1 P00519 3/20 0.51
LCK P06239 3/20 0.51
FYN P06241 3/20 0.51
LYN P07948 3/20 0.51
RET P07949 3/20 0.51
SRC P12931 3/20 0.51
AXL P30530 3/20 0.51
FRK P42685 3/20 0.51
MAPK9 P45984 3/20 0.51
BLK P51451 3/20 0.51
NTRK3 Q16288 3/20 0.51
NTRK2 Q16620 3/20 0.51
MINK1 Q8N4C8 3/20 0.51

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
SCHEMBL2212728 0.94 MAPK14 (0.72) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2209824 0.93 MAPK14 (0.62) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2210314 0.93 MAPK14 (0.62) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2212959 0.92 MAPK14 (0.56) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2213841 0.86 MAPK14 (0.72) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2214160 0.83 MAPK14 (0.87) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL8737511 0.80 RAF1 (0.60) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL12391532 0.79 RAF1 (0.76) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL257980 0.77 RAF1 (0.82) BRAFMAPK14RAF1EPHX2KDR
SCHEMBL2240951 0.77 MAPK14 (0.66) BRAFMAPK14RAF1EPHX2KDR

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-1866302-B1 PYRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
US-7767696-B2 Antitumor agents; tyrosine inhbitor; controllling kinase signal transduction MERCK PATENT GMBH (DE) 2010-08-03 US claimed
US-20080207699-A1 Pyrazole Derivatives MERCK PATENT GMBH (DE) 2008-08-28 US claimed

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-20080207699-A1 Pyrazole Derivatives TIE1, FER, RAF1 BRAF 8/4885MAPK14 474/4885RAF1 3/4885

“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.