SCHEMBL938903

SCHEMBL938903

CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 1.00
BRAF P15056 5/20 0.78
KDR P35968 4/20 0.78
MAPK14 Q16539 4/20 0.78
TNNI3K Q59H18 4/20 0.78
RIPK2 O43353 1/20 0.61
MAPK13 O15264 3/20 0.60
PLK4 O00444 1/20 0.58
AURKA O14965 1/20 0.58
JAK2 O60674 1/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
ROS1 P08922 1/20 0.58
SRC P12931 1/20 0.58
RPS6KB1 P23443 1/20 0.58
EPHA2 P29317 1/20 0.58

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
SCHEMBL3177619 0.88 KDR (1.00) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL1506321 0.85 RAF1 (0.74) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL5008981 0.83 RAF1 (0.71) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL32675964 0.81 RAF1 (0.65) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL4238737 0.80 RAF1 (0.67) RAF1BRAFMAPK14RIPK2MAPK13
SCHEMBL1506293 0.80 RAF1 (0.67) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL18233002 0.79 KMT2A (0.71) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL14022017 0.79 BRAF (0.72) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL1396019 0.78 RAF1 (0.64) RAF1BRAFKDRMAPK14TNNI3K
SCHEMBL24590720 0.78 RAF1 (0.64) RAF1BRAFKDRMAPK14TNNI3K

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
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
EP-2324825-A1 Aryl ureas with angiogenesis inhibiting activity Bayer Healthcare LLC (US) 2011-05-25 EP 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 867/4885BRAF 487/4885KDR 3/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885KDR 3/4885
US-20110015195-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885KDR 3/4885
US-20080227828-A1 Aryl Ureas With Angiogenisis Inhibiting Activity FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885KDR 3/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR RAF1 817/4885BRAF 290/4885KDR 3/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR RAF1 867/4885BRAF 487/4885KDR 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.