SCHEMBL171185

SCHEMBL171185

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3OC3CCNCC3)cc2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 1.00
RAF1 P04049 14/20 0.59
KDR P35968 3/20 0.49
PLK4 O00444 2/20 0.49
AURKA O14965 2/20 0.49
MAPK13 O15264 2/20 0.49
MAP4K4 O95819 2/20 0.49
ABL1 P00519 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49
LYN P07948 2/20 0.49
RET P07949 2/20 0.49
SRC P12931 2/20 0.49
RPS6KB1 P23443 2/20 0.49
EPHA2 P29317 2/20 0.49
AXL P30530 2/20 0.49
FRK P42685 2/20 0.49
MAPK9 P45984 2/20 0.49
BLK P51451 2/20 0.49
CAMK2B Q13554 2/20 0.49

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
SCHEMBL16990584 0.92 DDR2 (0.85) DDR2RAF1KDRPLK4AURKA
SCHEMBL14453617 0.90 DDR2 (0.81) DDR2RAF1KDRPLK4AURKA
SCHEMBL13603616 0.90 DDR2 (0.81) DDR2RAF1KDRMAPK14EPHX2
SCHEMBL171219 0.88 DDR2 (0.79) DDR2RAF1KDRPLK4AURKA
SCHEMBL171154 0.86 DDR2 (0.76) DDR2RAF1KDRPLK4AURKA
SCHEMBL15574602 0.86 RAF1 (0.78) DDR2RAF1KDRPLK4AURKA
SCHEMBL15573225 0.85 DDR2 (0.74) DDR2RAF1KDRPLK4AURKA
SCHEMBL14453630 0.85 DDR2 (0.74) DDR2RAF1KDRPLK4AURKA
SCHEMBL171359 0.85 DDR2 (0.74) DDR2RAF1KDRPLK4AURKA
SCHEMBL169261 0.85 DDR2 (0.74) DDR2RAF1KDRPLK4AURKA

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.