SCHEMBL257963

SCHEMBL257963

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc4ccccc4nc3OC)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.59
EPHX2 P34913 4/20 0.59
KDR P35968 6/20 0.57
MAPK14 Q16539 5/20 0.57
ABL1 P00519 3/20 0.57
RET P07949 3/20 0.57
EPHA2 P29317 3/20 0.57
MAP3K20 Q9NYL2 3/20 0.57
PLK4 O00444 2/20 0.57
AURKA O14965 2/20 0.57
MAPK13 O15264 2/20 0.57
MAP4K4 O95819 2/20 0.57
LCK P06239 2/20 0.57
FYN P06241 2/20 0.57
LYN P07948 2/20 0.57
SRC P12931 2/20 0.57
RPS6KB1 P23443 2/20 0.57
AXL P30530 2/20 0.57
FRK P42685 2/20 0.57
MAPK9 P45984 2/20 0.57

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
SCHEMBL4181174 0.92 RET (0.56) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL4173358 0.90 RAF1 (0.52) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL13603524 0.88 DDR2 (0.53) RAF1EPHX2KDRMAPK14BRAF
SCHEMBL938402 0.85 RAF1 (0.58) RAF1KDRMAPK14MAPK13TNNI3K
SCHEMBL4185779 0.85 RAF1 (0.58) RAF1KDRBRAFMEN1KMT2A
SCHEMBL2328292 0.84 RAF1 (0.49) RAF1KDRBRAFPDGFRAMEN1
SCHEMBL12391532 0.82 RAF1 (0.76) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL257980 0.82 RAF1 (0.82) RAF1EPHX2KDRMAPK14ABL1
SCHEMBL12719566 0.82 RAB9A (0.46) RAF1KDRMAPK14ABL1RET
SCHEMBL16621444 0.80 RAF1 (0.68) RAF1EPHX2KDRMAPK14ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4359817-B2 2009-11-11 JP claimed
JP-2004537511-A 2004-12-16 JP claimed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP claimed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO claimed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 US claimed
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP disclosed
EP-1379507-B1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-08-17 EP disclosed
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed
US-7928239-B2 Anticarcinogenic agents BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP 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 (2 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-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF RAF1 2/4885EPHX2 2567/4885KDR 1420/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 RAF1 246/4885EPHX2 2821/4885KDR 1661/4885

“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.