SCHEMBL2433772

SCHEMBL2433772

CCCOc1cccc2c(=O)c(-c3cc(OC)c(OC)c(OC)c3)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KDR P35968 7/20 0.43
FLT3 P36888 6/20 0.43
PDGFRB P09619 6/20 0.43
FLT4 P35916 6/20 0.43
KIT P10721 4/20 0.43
TEK Q02763 4/20 0.43
PLK4 O00444 3/20 0.43
AURKA O14965 3/20 0.43
SRC P12931 3/20 0.43
AURKB Q96GD4 3/20 0.43
IGF1R P08069 3/20 0.43
NUAK1 O60285 2/20 0.43
EGFR P00533 2/20 0.43
INSR P06213 2/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43

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
SCHEMBL2429943 0.89 DYRK1A (0.45) KDM4EALDH1A1HPGDKDRPDGFRB
SCHEMBL2428424 0.87 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGSK3BDYRK1A
SCHEMBL2429913 0.85 NR3C1 (0.48) KDM4EALDH1A1HPGDGSK3BDYRK1A
SCHEMBL2432181 0.84 HPGD (0.43) KDM4EALDH1A1HPGDKDRFLT3
SCHEMBL2434710 0.82 KDM4E (0.44) KDM4EALDH1A1HPGDGSK3BDYRK1A
SCHEMBL2428415 0.82 ADORA3 (0.44) KDM4EALDH1A1HPGDKITGSK3B
SCHEMBL2429759 0.82 CYP3A4 (0.50) KDM4EALDH1A1HPGDKITADORA3
SCHEMBL2430177 0.81 CNR1 (0.40) KDM4EALDH1A1HPGDEGFRDYRK1A
SCHEMBL2465957 0.81 IMPDH2 (0.44) KDM4EALDH1A1HPGDCDK2GSK3B
SCHEMBL2433221 0.79 CNR1 (0.41) KDM4EALDH1A1HPGDGSK3BADORA3

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 BRD4 915/4885KDM4E 2556/4885ALDH1A1 568/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 BRD4 915/4885KDM4E 2556/4885ALDH1A1 568/4885

“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.