SCHEMBL171326

SCHEMBL171326

CNCCOc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)NC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 5/20 0.59
GSK3B P49841 2/20 0.53
RAF1 P04049 11/20 0.52
MAPK14 Q16539 4/20 0.46
KDR P35968 4/20 0.45
EPHX2 P34913 4/20 0.45
BRAF P15056 3/20 0.45
RIPK2 O43353 2/20 0.45
ABCB11 O95342 2/20 0.45
ABL1 P00519 2/20 0.45
RET P07949 2/20 0.45
HTR1A P08908 2/20 0.45
PDGFRB P09619 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
KIT P10721 2/20 0.45
FGFR1 P11362 2/20 0.45
PDGFRA P16234 2/20 0.45
FLT1 P17948 2/20 0.45
MAOA P21397 2/20 0.45
EPHA1 P21709 2/20 0.45

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
SCHEMBL15573240 0.97 DDR2 (0.59) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL15574276 0.94 DDR2 (0.58) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL16990733 0.93 DDR2 (0.54) DDR2GSK3BRAF1
SCHEMBL169159 0.92 DDR2 (0.71) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL171041 0.92 DDR2 (0.58) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL13603580 0.92 DDR2 (0.59) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL15574608 0.92 DDR2 (0.56) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL15574785 0.92 DDR2 (0.56) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL171021 0.91 DDR2 (0.65) DDR2GSK3BRAF1MAPK14KDR
SCHEMBL13603633 0.90 DDR2 (0.70) DDR2GSK3BRAF1MAPK14KDR

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 13 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-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 DDR2 4558/4885GSK3B 1104/4885RAF1 2/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885GSK3B 494/4885RAF1 3072/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885GSK3B 1104/4885RAF1 2/4885

“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.