SCHEMBL2233436

SCHEMBL2233436

Cc1ccc(CCOc2ccc(CN3CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 6/20 0.56
HRH3 Q9Y5N1 2/20 0.56
LMNA P02545 2/20 0.53
FAAH O00519 3/20 0.53
KCNA5 P22460 2/20 0.52
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2235426 0.94 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKDM4EHRH3LMNA
SCHEMBL2235006 0.94 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKDM4EHRH3LMNA
SCHEMBL13582498 0.90 KDM4E (0.65) SMN1; SMN2KDM4EHRH3LMNAFAAH
SCHEMBL2232206 0.90 POLB (0.57) SMN1; SMN2KDM4EHRH3LMNAFAAH
SCHEMBL2232052 0.90 POLB (0.57) SMN1; SMN2KDM4EHRH3LMNAFAAH
SCHEMBL13582276 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKDM4EHRH3LMNA
SCHEMBL2232545 0.89 HRH3 (0.55) SMN1; SMN2KDM4EHRH3LMNAFAAH
SCHEMBL2236459 0.89 HRH3 (0.57) HRH3FAAH
SCHEMBL2236366 0.88 HRH3 (0.61) SMN1; SMN2KDM4EHRH3LMNAFAAH
SCHEMBL2231869 0.88 HRH3 (0.59) SMN1; SMN2KDM4EHRH3LMNAFAAH

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 7 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
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 SMN1; SMN2 4081/4885MAPT 4703/4885KDM4E 719/4885

“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.