SCHEMBL6072097

SCHEMBL6072097

CNC(=O)c1cc(Nc2ccc3c(c2)CCN3)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PARP1 P09874 1/20 0.41
PDE7A Q13946 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MAPK14 Q16539 2/20 0.38
RAF1 P04049 4/20 0.38
EPHX2 P34913 2/20 0.38
CRBN Q96SW2 1/20 0.38
NFKB1 P19838 3/20 0.37
NR2C2 P49116 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
TAB1 Q15750 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL6071903 0.83 PARP1 (0.47) KDREGFRERBB2PARP1MAPK14
SCHEMBL6072600 0.80 KDR (0.55) KDRMAPK14RAF1EPHX2NFKB1
SCHEMBL6071905 0.79 PARP1 (0.40) KDRPARP1DRD2DRD4MAPK14
SCHEMBL27730598 0.75 KDR (0.56) KDREGFRERBB2RAF1EPHX2
SCHEMBL6072495 0.74 SYK (0.57) KDREGFRERBB2
SCHEMBL6072019 0.73 KDR (0.53) KDRMAPK14RAF1EPHX2NFKB1
SCHEMBL14566951 0.72 KDR (0.48) KDREGFRERBB2PARP1MAPK14
SCHEMBL28427186 0.71 RAF1 (0.63) KDRRAF1EPHX2NFKB1NR2C2
SCHEMBL6217264 0.70 DRD2 (0.53) PDE7ADRD2DRD4HDAC3HDAC4
SCHEMBL31488089 0.70 NPC1 (0.51) PDE7ADRD2DRD4HDAC3HDAC4

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 2025/4885EGFR 1050/4885ERBB2 243/4885

“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.