SCHEMBL2431071

SCHEMBL2431071

O=c1c(-c2ccc(Cl)cc2Cl)c[nH]c2c(OC3CCCC3)ccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
SRC P12931 1/20 0.34
HPGD P15428 1/20 0.34
CSNK2A1 P68400 3/20 0.34
KMO O15229 4/20 0.34
EEF2K O00418 1/20 0.33
PLK4 O00444 1/20 0.33
IKBKB O14920 1/20 0.33
DYRK3 O43781 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK1 P51617 1/20 0.33
RPS6KA3 P51812 1/20 0.33
NEK4 P51957 1/20 0.33
PLK1 P53350 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL2431843 0.88 PDE4B (0.38) PDE4D
SCHEMBL15198840 0.86 TSHR (0.39) HPGDCSNK2A1PDE4DFPR2PROKR1
SCHEMBL2428940 0.82 CNR1 (0.37) HPGDKMOSLC6A4HTR6
SCHEMBL2433628 0.70 PDE4B (0.38) SLC6A4HTR6
SCHEMBL2434676 0.67 MAPT (0.37) HPGDCSNK2A1
SCHEMBL1136053 0.67 ALDH1A1 (0.42) HPGDCSNK2A1
SCHEMBL16177550 0.66 HSD17B10 (0.41) HPGDCSNK2A1SLC6A4HTR6
SCHEMBL2430197 0.65 PDE4A (0.40) PDE4D
SCHEMBL1136283 0.65 KDR (0.38) PLK4PDE4D
SCHEMBL2431867 0.64 PDE4B (0.37) PDE4D

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 9 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
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
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 EGFR 4584/4885SRC 3894/4885HPGD 140/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 EGFR 4584/4885SRC 3894/4885HPGD 140/4885

“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.