SCHEMBL6598757

SCHEMBL6598757

Cc1cnc2c(c1)C(=O)c1ncc(C)cc1C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
ELANE P08246 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP1A2 P05177 1/20 0.34
TOP2A P11388 1/20 0.34
CYP2A6 P11509 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 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
SCHEMBL12108751 0.91 KMT2A (0.66) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL13151876 0.91 KMT2A (0.71) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL8917379 0.88 KMT2A (0.86) KMT2AMAOBELANEPDK2RAB9A
SCHEMBL12110126 0.87 KMT2A (0.67) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL17339870 0.85 KMT2A (0.51) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL12760700 0.80 KMT2A (0.50) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL13168840 0.80 KMT2A (0.54) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL13940472 0.80 KMT2A (0.68) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL13168841 0.79 KMT2A (0.49) KMT2ACCR1CCR5CCR8PTGS1
SCHEMBL6597313 0.79 KMT2A (0.49) KMT2ACCR1CCR5CCR8PTGS1

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 16 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
US-9214634-B2 Organic photovoltaic cell, organic semiconductor polymer and composition for organic semiconductor material used therefor FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9214634-B2 Organic photovoltaic cell, organic semiconductor polymer and composition for organic semiconductor material used therefor FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-8435706-B2 2013-05-07 US disclosed
US-8435706-B2 2013-05-07 US disclosed
US-20110268472-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-11-03 US disclosed
US-20110268472-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-11-03 US disclosed
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 KMT2A 147/4885CCR1 2432/4885CCR5 3303/4885

“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.