SCHEMBL3755311

SCHEMBL3755311

CCOC(=O)c1c(C)cc(-c2cncnc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1085587 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL3764919 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL7362801 0.79 POLB (0.60) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL1085386 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL9523494 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL1296287 0.74 CYP3A4 (0.56) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL1327099 0.74 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL23575011 0.74 ADORA3 (0.42) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL30250249 0.74 ADORA3 (0.42) ALDH1A1L3MBTL1ADORA3SMN1; SMN2KDM4E
SCHEMBL22453926 0.73 SMN1; SMN2 (0.52) ALDH1A1ADORA3SMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 ALDH1A1 3358/4885L3MBTL1 3659/4885ADORA3 229/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885L3MBTL1 3659/4885ADORA3 229/4885

“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.