SCHEMBL2234053

SCHEMBL2234053

Cc1ccc(C(=O)COc2ccc(CN3CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
POLB P06746 2/20 0.51
ADRB2 P07550 1/20 0.50
FAAH O00519 1/20 0.49
ATM Q13315 1/20 0.49
KCNA5 P22460 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2236709 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
SCHEMBL2295406 0.88 LMNA (0.58) SMN1; SMN2KDM4EHRH3LMNAMAPK1
SCHEMBL2235006 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL2233356 0.83 CXCR4 (0.52) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL2232246 0.83 CXCR4 (0.52) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
SCHEMBL15264421 0.83 LMNA (0.68) SMN1; SMN2KDM4EALDH1A1HRH3LMNA
SCHEMBL2233436 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
SCHEMBL2235426 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
SCHEMBL2232748 0.79 FAAH (0.53) SMN1; SMN2MAPTKDM4EALDH1A1TDP1
SCHEMBL3265757 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MAPTKDM4EALDH1A1TDP1

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.