SCHEMBL6071883

SCHEMBL6071883

CNC(=O)c1cc(Oc2ccc3c(c2)CCCN3C(=O)O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.51
NFKB1 P19838 3/20 0.50
NR2C2 P49116 3/20 0.50
NFKB2 Q00653 3/20 0.50
RELA Q04206 3/20 0.50
TAB1 Q15750 3/20 0.50
MAPK14 Q16539 2/20 0.48
BRAF P15056 6/20 0.48
CSF1R P07333 1/20 0.47
RAF1 P04049 4/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 1/20 0.45
FGFR1 P11362 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL6071927 0.94 KDR (0.52) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072151 0.85 RAF1 (0.44) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072414 0.84 KDR (0.52) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072249 0.82 HRH3 (0.48) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072647 0.82 RAF1 (0.54) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072145 0.81 MET (0.47) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072111 0.81 KDR (0.53) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072163 0.80 KDR (0.47) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072190 0.80 HTT (0.46) KDRNFKB1NR2C2NFKB2RELA
SCHEMBL6072418 0.79 KDR (0.47) KDRMAPK14BRAFRAF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 KDR 2025/4885NFKB1 858/4885NR2C2 2009/4885

“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.