SCHEMBL4173358

SCHEMBL4173358

COc1nc2ccccc2cc1NC(=O)Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.52
KDR P35968 8/20 0.46
PDGFRA P16234 4/20 0.46
EPHX2 P34913 1/20 0.46
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
SRC P12931 1/20 0.44
RPS6KB1 P23443 1/20 0.44
EPHA2 P29317 1/20 0.44
TYK2 P29597 1/20 0.44
AXL P30530 1/20 0.44

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
SCHEMBL12719566 0.92 RAB9A (0.46) RAF1KDRPLK4AURKAMAPK13
SCHEMBL257963 0.90 RAF1 (0.59) RAF1KDRPDGFRAEPHX2PLK4
SCHEMBL938402 0.86 RAF1 (0.58) RAF1KDRPDGFRAMAPK13MAPK14
SCHEMBL12749714 0.82 MEN1 (0.47) RAF1KDRPDGFRAIGF1RMEN1
SCHEMBL4181174 0.82 RET (0.56) RAF1KDRPDGFRAEPHX2PLK4
SCHEMBL16990709 0.79 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL12719565 0.79 MEN1 (0.54) KDRSRCIGF1RMEN1KMT2A
SCHEMBL4185779 0.79 RAF1 (0.58) RAF1KDRIGF1RMEN1KMT2A
SCHEMBL13603524 0.78 DDR2 (0.53) RAF1KDREPHX2MAPK14MEN1
SCHEMBL2328292 0.78 RAF1 (0.49) RAF1KDRPDGFRAIGF1RMEN1

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 7 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
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

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-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 RAF1 246/4885KDR 1661/4885PDGFRA 1462/4885

“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.