SCHEMBL938678

SCHEMBL938678

CCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)on1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.65
KDR P35968 7/20 0.65
EPHX2 P34913 4/20 0.60
MAPK14 Q16539 5/20 0.56
RET P07949 4/20 0.56
SRC P12931 3/20 0.56
AURKB Q96GD4 3/20 0.56
ABL1 P00519 3/20 0.56
EPHA2 P29317 3/20 0.56
MAP3K20 Q9NYL2 3/20 0.56
PLK4 O00444 2/20 0.56
AURKA O14965 2/20 0.56
MAPK13 O15264 2/20 0.56
MAP4K4 O95819 2/20 0.56
LCK P06239 2/20 0.56
FYN P06241 2/20 0.56
LYN P07948 2/20 0.56
RPS6KB1 P23443 2/20 0.56
AXL P30530 2/20 0.56
FRK P42685 2/20 0.56

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
SCHEMBL938751 0.86 RAF1 (0.80) RAF1KDRMAPK14RETMAPK13
SCHEMBL5575729 0.85 RAF1 (0.54) RAF1KDREPHX2MAPK14RET
SCHEMBL5573475 0.83 RAF1 (0.68) RAF1KDRMAPK14RETMAPK13
SCHEMBL7814153 0.82 RAF1 (0.53) RAF1KDRMAPK14RETBRAF
SCHEMBL937912 0.82 RAF1 (0.65) RAF1KDREPHX2MAPK14RET
SCHEMBL257980 0.81 RAF1 (0.82) RAF1KDREPHX2MAPK14RET
SCHEMBL13234850 0.79 RAF1 (1.00) RAF1KDREPHX2MAPK14RET
SCHEMBL1532339 0.78 RAF1 (0.77) RAF1KDREPHX2MAPK14RET
SCHEMBL667449 0.78 RAF1 (0.80) RAF1KDRMAPK14MAPK13TNNI3K
SCHEMBL5571979 0.78 BRAF (0.48) RAF1MAPK14RETBRAF

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP claimed
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US claimed
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 US disclosed
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY DUMAS JACQUES 2011-01-20 US disclosed
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US disclosed
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity BAYER HEALTHCARE LLC 2008-09-18 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 (6 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-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885KDR 3/4885EPHX2 2696/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885KDR 3/4885EPHX2 2696/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885KDR 3/4885EPHX2 2696/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885KDR 3/4885EPHX2 2696/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885KDR 3/4885EPHX2 1885/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885KDR 3/4885EPHX2 2696/4885

“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.