SCHEMBL171188

SCHEMBL171188

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.61
KDR P35968 7/20 0.61
BRAF P15056 6/20 0.61
MAPK14 Q16539 5/20 0.61
RET P07949 4/20 0.61
EPHX2 P34913 4/20 0.61
DDR2 Q16832 3/20 0.61
ABL1 P00519 3/20 0.61
EPHA2 P29317 3/20 0.61
MAP3K20 Q9NYL2 3/20 0.61
AURKB Q96GD4 3/20 0.61
RIPK2 O43353 2/20 0.61
ABCB11 O95342 2/20 0.61
HTR1A P08908 2/20 0.61
PDGFRB P09619 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
KIT P10721 2/20 0.61
FGFR1 P11362 2/20 0.61
PDGFRA P16234 2/20 0.61
FLT1 P17948 2/20 0.61

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
SCHEMBL15574494 0.93 RAF1 (0.64) RAF1KDRBRAFMAPK14RET
SCHEMBL16990607 0.91 MEN1 (0.53) RAF1KDRBRAFMAPK14RET
SCHEMBL10324287 0.89 RAF1 (0.75) RAF1KDRBRAFMAPK14RET
SCHEMBL17000004 0.88 DDR2 (0.65) RAF1KDRBRAFMAPK14RET
SCHEMBL171244 0.88 MAPK14 (0.58) RAF1KDRBRAFMAPK14RET
SCHEMBL15573355 0.87 DDR2 (0.62) RAF1KDRBRAFMAPK14RET
SCHEMBL15574727 0.87 MAPK14 (0.58) RAF1KDRBRAFMAPK14RET
SCHEMBL13603462 0.86 MAPK14 (0.58) RAF1KDRBRAFMAPK14RET
SCHEMBL23747741 0.85 RAF1 (0.62) RAF1KDRBRAFMAPK14RET
SCHEMBL17000003 0.85 POLB (0.58) RAF1KDRBRAFMAPK14RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US claimed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP claimed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO claimed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP disclosed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 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 (3 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885KDR 1819/4885BRAF 1/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 RAF1 3072/4885KDR 404/4885BRAF 3224/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885KDR 1819/4885BRAF 1/4885

“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.