SCHEMBL171397

SCHEMBL171397

CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(Cl)c(C)cc3OC)cc2C)ccn1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.83
RAF1 P04049 10/20 0.59
CSF1R P07333 1/20 0.45
P2RX3 P56373 1/20 0.43
GSK3B P49841 2/20 0.42
KDR P35968 2/20 0.42
RET P07949 2/20 0.41
FLT4 P35916 2/20 0.41
MAPKAPK2 P49137 2/20 0.41
CHEK1 O14757 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PHKG2 P15735 1/20 0.41
CDK2 P24941 1/20 0.41
CLK2 P49760 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL171212 0.97 DDR2 (0.83) DDR2RAF1CSF1RP2RX3GSK3B
SCHEMBL17000078 0.93 DDR2 (0.82) DDR2RAF1CSF1RP2RX3KDR
SCHEMBL15574418 0.93 DDR2 (0.72) DDR2RAF1CSF1RP2RX3GSK3B
SCHEMBL171217 0.92 DDR2 (0.70) DDR2RAF1CSF1RGSK3BKDR
SCHEMBL16990590 0.92 DDR2 (0.70) DDR2RAF1GSK3BRETFLT4
SCHEMBL13603518 0.91 DDR2 (1.00) DDR2RAF1CSF1RP2RX3MAPT
SCHEMBL15573125 0.90 DDR2 (0.72) DDR2RAF1CSF1RP2RX3GSK3B
SCHEMBL15574564 0.90 DDR2 (0.72) DDR2RAF1CSF1RP2RX3GSK3B
SCHEMBL17000027 0.89 DDR2 (0.84) DDR2RAF1CSF1RLMNA
SCHEMBL15574694 0.88 DDR2 (0.70) DDR2RAF1LMNAMAPT

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 2/4885CSF1R 2298/4885
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885RAF1 3072/4885CSF1R 885/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 DDR2 4558/4885RAF1 2/4885CSF1R 2298/4885

“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.