SCHEMBL169207

SCHEMBL169207

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3ccc(C(=O)OC)cc3OC)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.59
ALDH1A1 P00352 1/20 0.52
RAF1 P04049 6/20 0.51
KDR P35968 4/20 0.51
BRAF P15056 2/20 0.51
CSF1R P07333 1/20 0.51
EPHX2 P34913 2/20 0.48
MAPK14 Q16539 2/20 0.47
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
RIPK2 O43353 1/20 0.43

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
SCHEMBL15574164 0.93 DDR2 (0.53) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL17000019 0.90 ALDH1A1 (0.52) DDR2ALDH1A1RAF1KMT2AHDAC1
SCHEMBL13603632 0.89 DDR2 (0.72) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL15573077 0.87 DDR2 (0.65) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL13603471 0.87 DDR2 (0.51) DDR2RAF1KDRBRAFCSF1R
SCHEMBL17000011 0.86 DDR2 (0.69) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL15574556 0.85 DDR2 (0.70) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL171194 0.85 DDR2 (0.67) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL13603627 0.84 DDR2 (0.70) DDR2ALDH1A1RAF1KDRBRAF
SCHEMBL13603633 0.83 DDR2 (0.70) DDR2ALDH1A1RAF1KDRBRAF

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 DDR2 4558/4885ALDH1A1 748/4885RAF1 2/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885ALDH1A1 2098/4885RAF1 3072/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885ALDH1A1 748/4885RAF1 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.