SCHEMBL6072019

SCHEMBL6072019

CNC(=O)c1cc(Oc2ccc3c(c2)CCCN3)ccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
MAPK14 Q16539 2/20 0.49
NFKB1 P19838 3/20 0.48
NR2C2 P49116 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TAB1 Q15750 3/20 0.48
BRAF P15056 8/20 0.48
RAF1 P04049 6/20 0.48
EPHX2 P34913 2/20 0.48
CSF1R P07333 2/20 0.47
HIPK4 Q8NE63 1/20 0.46
PDGFRA P16234 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
SCHEMBL6072600 0.93 KDR (0.55) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL546222 0.80 ABL1 (0.53) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL6072869 0.77 HRH3 (0.43) MAPK14BRAFRAF1
SCHEMBL6071883 0.76 KDR (0.51) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL6072412 0.76 KDR (0.54) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL167964 0.75 KDR (0.68) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL3183202 0.75 HRH3 (0.48)
SCHEMBL30480867 0.74 OTUD7B (0.48) KDR
SCHEMBL6473119 0.74 RAF1 (0.66) KDRMAPK14NFKB1NR2C2NFKB2
SCHEMBL6014811 0.74 KDR (0.63) KDRMAPK14BRAFRAF1EPHX2

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 2025/4885MAPK14 152/4885NFKB1 858/4885

“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.