SCHEMBL171224

SCHEMBL171224

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN3CCCC3)c(C)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.49
GSK3B P49841 1/20 0.47
MAPK14 Q16539 3/20 0.45
KDR P35968 7/20 0.43
RAF1 P04049 4/20 0.43
FGFR1 P11362 2/20 0.42
SRC P12931 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
RIPK2 O43353 1/20 0.40
ABCB11 O95342 1/20 0.40
ABL1 P00519 1/20 0.40
NR3C1 P04150 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL13603568 0.94 DDR2 (0.47) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL171401 0.92 DDR2 (0.55) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL16990653 0.90 FLT1 (0.48) DDR2KDRMCHR1HTR2AFLT1
SCHEMBL171252 0.89 DDR2 (0.54) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL15575261 0.89 DDR2 (0.55) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL5569661 0.88 GSK3B (0.60) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL171352 0.88 DDR2 (0.65) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL15573142 0.86 RAF1 (0.44) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL13648366 0.86 GSK3B (0.48) DDR2GSK3BMAPK14KDRRAF1
SCHEMBL170869 0.86 DDR2 (0.53) DDR2GSK3BMAPK14KDRRAF1

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 1104/4885MAPK14 120/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885GSK3B 494/4885MAPK14 455/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885GSK3B 1104/4885MAPK14 120/4885

“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.