SCHEMBL3083908

SCHEMBL3083908

CN(C)CCN(C)c1ccc(-c2c(CO)nc3ccccn23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 6/20 0.41
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATM Q13315 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 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
SCHEMBL3084024 0.89 USP7 (0.47) USP7KDM4ENPC1POLBHTT
SCHEMBL3083307 0.81 ALDH1A1 (0.38) USP7KDM4ENPC1POLBHTT
SCHEMBL3082291 0.79 PTGS1 (0.48) USP7KDM4EHTTSMN1; SMN2
SCHEMBL3076257 0.76 USP7 (0.43) USP7KDM4ENPC1POLBHTT
SCHEMBL3095545 0.74 CXCR4 (0.51) KCNH2
SCHEMBL3077086 0.73 CNR2 (0.44) USP7KDM4E
SCHEMBL3077814 0.72 FYN (0.46) KDM4EPOLBHRH3
SCHEMBL3077074 0.72 MAPK1 (0.47) USP7KDM4ENPC1
SCHEMBL3095735 0.72 MCHR1 (0.47)
SCHEMBL3084803 0.70 CNR2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227880-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-09-09 US disclosed
EP-1984375-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 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-20100227880-A1 CHEMICAL COMPOUNDS CYP3A5, SLC10A1, ABCB11 USP7 3872/4885KDM4E 2460/4885NPC1 42/4885

“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.