SCHEMBL2231995

SCHEMBL2231995

Cc1cc(Br)cc(Cl)c1Oc1ccc(N)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
POLB P06746 3/20 0.57
KEAP1 Q14145 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
SCN9A Q15858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2231734 0.83 POLB (0.44) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL4064001 0.81 KDM4E (0.63) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL2234015 0.78 HSPB1 (0.46) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2357994 0.77 POLB (0.39) KDM4EPOLBALDH1A1RAB9AL3MBTL1
SCHEMBL2233547 0.75 MAOB (0.43) KDM4EPOLBALDH1A1RAB9ACYP3A4
SCHEMBL2232781 0.75 KDM4E (0.57) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL2230564 0.75 KDM4E (0.57) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL13583039 0.74 KDM4E (0.47) KDM4EPOLBKEAP1MEN1KMT2A
SCHEMBL2232490 0.74 MAOB (0.40) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL13583037 0.74 KDM4E (0.47) KDM4EPOLBKEAP1MEN1KMT2A

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-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 CN disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 KDM4E 719/4885POLB 1825/4885KEAP1 87/4885

“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.