SCHEMBL2432694

SCHEMBL2432694

CCCOc1cc(-n2ccnc2)cc2c(=O)c(-c3ccc(OC)cc3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 2/20 0.38
KMT2A Q03164 3/20 0.36
CD38 P28907 1/20 0.36
KDR P35968 1/20 0.36
CYP17A1 P05093 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GSK3B P49841 1/20 0.35
QPCT Q16769 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL2431593 0.80 HRH3 (0.39) CYP1A2CYP3A4CYP2C19MAOBHRH3
SCHEMBL2434988 0.79 MAOB (0.42) MAOAMAOBKMT2AKDRHRH3
SCHEMBL2432181 0.75 HPGD (0.43) CYP1A2KDRHRH3ATM
SCHEMBL2462928 0.73 PDE5A (0.41) HRH3GSK3B
SCHEMBL2461065 0.71 KDM4E (0.40) KDRHRH3
SCHEMBL1135960 0.70 MAOB (0.41) CYP3A4MAOAMAOBKMT2AKDR
SCHEMBL2433158 0.70 ALDH1A1 (0.39) CYP3A4MAOAMAOBKMT2AHRH3
SCHEMBL2435481 0.69 CYP19A1 (0.41) CYP19A1MAOAMAOBCYP11B1CYP11B2
SCHEMBL2432282 0.69 NPC1 (0.37) CYP3A4MAOAMAOBKMT2AMEN1
SCHEMBL2432159 0.69 NPC1 (0.37) CYP3A4KMT2AKDRHRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CYP19A1 2317/4885CYP1A2 1581/4885CYP3A4 2014/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CYP19A1 2317/4885CYP1A2 1581/4885CYP3A4 2014/4885

“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.