SCHEMBL2233209

SCHEMBL2233209

CC(C)c1cccc(OCCc2ccc(CN3CCNCC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR4 P61073 3/20 0.42
MLNR O43193 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CCR2 P41597 1/20 0.41
CXCL12 P48061 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2230847 0.85 HRH3 (0.51) TSHRMEN1KMT2ASIGMAR1CXCR4
SCHEMBL2234825 0.85 HRH3 (0.51) TSHRMEN1KMT2ASIGMAR1CXCR4
SCHEMBL2232773 0.84 MLNR (0.53) KDM4ESIGMAR1ALDH1A1MLNR
SCHEMBL2231561 0.84 HRH3 (0.52) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL2232210 0.83 CHRM3 (0.50) KDM4ETSHRMEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL2302218 0.83 HRH3 (0.51) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL2234115 0.83 KDM4E (0.61) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL12015820 0.83 KDM4E (0.57) KDM4ETSHRMEN1KMT2ASIGMAR1
SCHEMBL2233255 0.82 MEN1 (0.50) SPHK1KDM4EMEN1KMT2AALDH1A1
SCHEMBL13582604 0.81 HRH3 (0.53) TSHRMEN1KMT2ACXCR4CHRM2

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 SPHK1 3845/4885KDM4E 719/4885TSHR 2665/4885

“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.