SCHEMBL6072207

SCHEMBL6072207

CNC(=O)c1cc(CN(C)c2ccc3c(c2)CCN3C(=O)O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
PARP1 P09874 1/20 0.39
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MAPT P10636 2/20 0.37
MAPK14 Q16539 2/20 0.36
ADORA1 P30542 4/20 0.36
SYK P43405 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL6072211 0.82 LMNA (0.40) HTR2CTP53THRBLMNAMAPT
SCHEMBL6072883 0.77 NOTUM (0.46) HTR2CTP53LMNAMAPTSYK
SCHEMBL6071927 0.76 KDR (0.52) MAPK14
SCHEMBL6071883 0.70 KDR (0.51) MAPK14
SCHEMBL6072881 0.69 LMNA (0.49) TP53LMNAMAPTSYKPOLB
SCHEMBL6072495 0.68 SYK (0.57) TP53LMNAMAPTSYK
SCHEMBL6072249 0.67 HRH3 (0.48) TP53THRBLMNAMAPK14POLB
SCHEMBL6072414 0.67 KDR (0.52) MAPK14
SCHEMBL14792980 0.67 NPC1 (0.53) HTR2CTP53LMNAMAPTPOLB
SCHEMBL6072151 0.66 RAF1 (0.44) MAPK14

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 HTR2C 1723/4885PARP1 2785/4885TP53 1240/4885

“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.