SCHEMBL6598063

SCHEMBL6598063

CCc1cnc2c(c1)C(=O)c1ncc(CC)cc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.37
TOP2A P11388 5/20 0.36
PARP1 P09874 1/20 0.35
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL13168840 0.86 KMT2A (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13168837 0.83 KMT2A (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7547799 0.77 NPC1 (0.37) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7825732 0.76 TDP2 (0.31) KMT2A
SCHEMBL25786719 0.71 NPSR1 (0.30)
SCHEMBL19856524 0.71 KMT2A (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL19868510 0.71 KMT2A (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10516243 0.69 CYP2D6 (0.45) RAB9ASMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL18123545 0.67 KCNH2 (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21098838 0.67 MALT1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080090-B1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIV MADRID COMPLUTENSE (ES) 2004-02-25 EP claimed
US-6525063-B2 3,7-dimethyl-1,5-diazaanthraquinone for example UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2003-02-25 US claimed
US-20020099066-A1 Antitumour 1,5-diazaanthraquinones UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-07-25 US claimed
EP-1080090-B1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIV MADRID COMPLUTENSE (ES) 2004-02-25 EP disclosed
US-6525063-B2 3,7-dimethyl-1,5-diazaanthraquinone for example UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2003-02-25 US disclosed
US-20020099066-A1 Antitumour 1,5-diazaanthraquinones UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-07-25 US disclosed
EP-1080090-A1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2001-03-07 EP disclosed
WO-1999059996-A1 ANTITUMOUR 1,5-DIAZAANTHRAQUINONES UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1999-11-25 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-20020099066-A1 Antitumour 1,5-diazaanthraquinones PRMT7, TPD52L2, DRD4 NPC1 3041/4885RAB9A 1345/4885SMN1; SMN2 4695/4885

“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.