SCHEMBL16990632

SCHEMBL16990632

COc1cc(C)c(Cl)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.57
RAF1 P04049 7/20 0.50
ALDH1A1 P00352 1/20 0.48
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
DCLK1 O15075 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
RET P07949 1/20 0.46
PHKG2 P15735 1/20 0.46
CDK2 P24941 1/20 0.46
FLT4 P35916 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL13603562 0.96 DDR2 (0.57) DDR2RAF1ALDH1A1GSK3BL3MBTL1
SCHEMBL171217 0.91 DDR2 (0.70) DDR2RAF1ALDH1A1AURKAMAP4K4
SCHEMBL16990590 0.91 DDR2 (0.70) DDR2RAF1ALDH1A1CHEK1IKBKB
SCHEMBL15574618 0.91 DDR2 (0.55) DDR2RAF1ALDH1A1GSK3BL3MBTL1
SCHEMBL16990600 0.90 DDR2 (0.51) DDR2RAF1GSK3BL3MBTL1P2RX3
SCHEMBL16990668 0.89 DDR2 (0.60) DDR2RAF1ALDH1A1CHEK1IKBKB
SCHEMBL16990629 0.89 DDR2 (0.50) DDR2RAF1GSK3BP2RX3
SCHEMBL171178 0.89 DDR2 (0.57) DDR2RAF1ALDH1A1L3MBTL1KMT2A
SCHEMBL16990710 0.88 DDR2 (0.48) DDR2RAF1GSK3BP2RX3
SCHEMBL16990651 0.88 DDR2 (0.63) DDR2RAF1CHEK1GSK3BP2RX3

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 3072/4885ALDH1A1 2098/4885

“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.