SCHEMBL171345

SCHEMBL171345

CNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)NC)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.71
RAF1 P04049 14/20 0.64
KDR P35968 4/20 0.53
ABL1 P00519 3/20 0.53
RET P07949 3/20 0.53
EPHA2 P29317 3/20 0.53
MAPK14 Q16539 3/20 0.53
MAP3K20 Q9NYL2 3/20 0.53
PLK4 O00444 2/20 0.53
AURKA O14965 2/20 0.53
MAPK13 O15264 2/20 0.53
MAP4K4 O95819 2/20 0.53
LCK P06239 2/20 0.53
FYN P06241 2/20 0.53
LYN P07948 2/20 0.53
SRC P12931 2/20 0.53
RPS6KB1 P23443 2/20 0.53
AXL P30530 2/20 0.53
FRK P42685 2/20 0.53
MAPK9 P45984 2/20 0.53

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
SCHEMBL15574761 0.94 DDR2 (0.70) DDR2RAF1KDRABL1RET
SCHEMBL171350 0.93 DDR2 (0.69) DDR2RAF1KDRABL1RET
SCHEMBL16990585 0.93 DDR2 (0.62) DDR2RAF1KDRABL1RET
SCHEMBL15575256 0.93 DDR2 (0.72) DDR2RAF1KDRABL1RET
SCHEMBL15574834 0.93 DDR2 (0.72) DDR2RAF1KDRABL1RET
SCHEMBL15574684 0.92 DDR2 (0.68) DDR2RAF1KDRABL1RET
SCHEMBL169163 0.92 DDR2 (0.61) DDR2RAF1KDRABL1RET
SCHEMBL169278 0.92 DDR2 (0.71) DDR2RAF1KDRABL1RET
SCHEMBL15574215 0.92 DDR2 (0.67) DDR2RAF1KDRABL1RET
SCHEMBL171343 0.92 DDR2 (0.65) DDR2RAF1KDRABL1RET

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 4558/4885RAF1 2/4885KDR 1819/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885RAF1 3072/4885KDR 404/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885KDR 1819/4885

“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.