SCHEMBL13603469

SCHEMBL13603469

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccccc3OCCCN(C)C)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.52
BRAF P15056 3/20 0.47
CACNA1B Q00975 4/20 0.47
CACNA1H O95180 2/20 0.47
GSK3B P49841 1/20 0.45
MAPK14 Q16539 1/20 0.45
KDR P35968 3/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
RAF1 P04049 3/20 0.44
EPHX2 P34913 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
SCHEMBL16990731 0.92 CACNA1B (0.48) DDR2CACNA1BCACNA1HMEN1GAA
SCHEMBL15573192 0.89 DDR2 (0.54) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL15573077 0.87 DDR2 (0.65) DDR2BRAFMAPK14KDRKMT2A
SCHEMBL15575223 0.87 POLB (0.51) CACNA1BCACNA1HMEN1GAAKMT2A
SCHEMBL171214 0.86 DDR2 (0.60) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL15575367 0.84 DDR2 (0.60) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL171053 0.83 DDR2 (0.70) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL15575220 0.82 DDR2 (0.61) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL171021 0.82 DDR2 (0.65) DDR2BRAFGSK3BMAPK14KDR
SCHEMBL13603634 0.82 RAF1 (0.58) DDR2BRAFGSK3BMAPK14KDR

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-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
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 4558/4885BRAF 1/4885CACNA1B 4724/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885BRAF 3224/4885CACNA1B 3266/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885BRAF 1/4885CACNA1B 4724/4885

“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.