SCHEMBL170834

SCHEMBL170834

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3OCCN3CCOCC3)cc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
RAF1 P04049 11/20 0.57
DDR2 Q16832 4/20 0.53
MAPK14 Q16539 5/20 0.50
BRAF P15056 4/20 0.50
RET P07949 3/20 0.50
KDR P35968 3/20 0.50
RIPK2 O43353 2/20 0.50
ABCB11 O95342 2/20 0.50
ABL1 P00519 2/20 0.50
HTR1A P08908 2/20 0.50
PDGFRB P09619 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
KIT P10721 2/20 0.50
FGFR1 P11362 2/20 0.50
PDGFRA P16234 2/20 0.50
FLT1 P17948 2/20 0.50
MAOA P21397 2/20 0.50
EPHA1 P21709 2/20 0.50
TBXA2R P21731 2/20 0.50

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
SCHEMBL169223 0.94 GSK3B (0.63) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL171225 0.92 GSK3B (0.61) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL14453599 0.91 GSK3B (0.73) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL170869 0.90 DDR2 (0.53) GSK3BRAF1DDR2MAPK14KDR
SCHEMBL16990703 0.90 MAPK14 (0.52) GSK3BRAF1MAPK14BRAFRET
SCHEMBL171038 0.89 DDR2 (0.66) GSK3BRAF1DDR2MAPK14RET
SCHEMBL169266 0.87 GSK3B (0.62) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL14453609 0.87 GSK3B (0.64) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL170909 0.87 GSK3B (0.68) GSK3BRAF1DDR2MAPK14BRAF
SCHEMBL171314 0.87 GSK3B (0.68) GSK3BRAF1DDR2MAPK14BRAF

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

“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.