SCHEMBL16990661

SCHEMBL16990661

NC(=O)COc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.59
RAF1 P04049 7/20 0.53
MRGPRX4 Q96LA9 1/20 0.42
BRAF P15056 4/20 0.41
KDR P35968 4/20 0.41
MAPK14 Q16539 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
ROS1 P08922 1/20 0.41
SRC P12931 1/20 0.41
RPS6KB1 P23443 1/20 0.41
EPHA2 P29317 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
SCHEMBL15574730 0.91 DDR2 (0.71) DDR2RAF1BRAFKDRMAPK14
SCHEMBL16990601 0.90 DDR2 (0.59) DDR2RAF1MRGPRX4BRAFKDR
SCHEMBL15575243 0.90 DDR2 (0.63) DDR2RAF1MRGPRX4KDRMAPK14
SCHEMBL16990618 0.89 DDR2 (0.60) DDR2RAF1MRGPRX4BRAFKDR
SCHEMBL16990724 0.89 RAF1 (0.67) DDR2RAF1BRAF
SCHEMBL16990712 0.89 DDR2 (0.60) DDR2RAF1MRGPRX4BRAFKDR
SCHEMBL16990702 0.88 DDR2 (0.59) DDR2RAF1MRGPRX4KDRMAPK14
SCHEMBL15574167 0.88 DDR2 (0.62) DDR2RAF1KDRMAPK14PLK4
SCHEMBL16990691 0.87 DDR2 (0.54) DDR2RAF1BRAFKDRMAPK14
SCHEMBL16990585 0.87 DDR2 (0.62) DDR2RAF1MRGPRX4KDRMAPK14

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 1 patent. 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 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 (1 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 DDR2 1/4885RAF1 3072/4885MRGPRX4 911/4885

“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.