SCHEMBL16990667

SCHEMBL16990667

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 3/20 0.62
GSK3B P49841 1/20 0.46
RAF1 P04049 5/20 0.41
P2RX3 P56373 8/20 0.39
CACNA1B Q00975 1/20 0.38
KDR P35968 2/20 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
SCHEMBL16990690 0.98 DDR2 (0.61) DDR2GSK3BRAF1P2RX3KDR
SCHEMBL16990624 0.96 DDR2 (0.67) DDR2GSK3BRAF1P2RX3KDR
SCHEMBL16990651 0.93 DDR2 (0.63) DDR2GSK3BRAF1P2RX3KDR
SCHEMBL171214 0.92 DDR2 (0.60) DDR2GSK3BRAF1KDR
SCHEMBL15575367 0.90 DDR2 (0.60) DDR2GSK3BRAF1KDR
SCHEMBL15575235 0.90 DDR2 (0.57) DDR2GSK3BRAF1P2RX3KDR
SCHEMBL16990611 0.90 DDR2 (0.54) DDR2GSK3BRAF1P2RX3
SCHEMBL16990733 0.89 DDR2 (0.54) DDR2GSK3BRAF1P2RX3
SCHEMBL171021 0.88 DDR2 (0.65) DDR2GSK3BRAF1KDR
SCHEMBL15574590 0.88 DDR2 (0.79) DDR2GSK3BRAF1P2RX3KDR

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 1/4885GSK3B 494/4885RAF1 3072/4885

“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.