SCHEMBL16990611

SCHEMBL16990611

Cc1cc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c(OCCN)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.54
RAF1 P04049 5/20 0.48
GSK3B P49841 1/20 0.45
P2RX3 P56373 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16990600 0.97 DDR2 (0.51) DDR2RAF1GSK3BP2RX3L3MBTL1
SCHEMBL13603580 0.92 DDR2 (0.59) DDR2RAF1GSK3B
SCHEMBL16990711 0.92 DDR2 (0.65) DDR2RAF1GSK3BP2RX3
SCHEMBL16990733 0.91 DDR2 (0.54) DDR2RAF1GSK3BP2RX3
SCHEMBL16990624 0.90 DDR2 (0.67) DDR2RAF1GSK3BP2RX3
SCHEMBL16990642 0.90 DDR2 (0.57) DDR2RAF1GSK3BP2RX3
SCHEMBL13603562 0.90 DDR2 (0.57) DDR2RAF1GSK3BP2RX3L3MBTL1
SCHEMBL16990667 0.90 DDR2 (0.62) DDR2RAF1GSK3BP2RX3
SCHEMBL16990690 0.89 DDR2 (0.61) DDR2RAF1GSK3BP2RX3
SCHEMBL15575235 0.89 DDR2 (0.57) DDR2RAF1GSK3BP2RX3

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 3072/4885GSK3B 494/4885

“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.