SCHEMBL2236278

SCHEMBL2236278

CCOc1ccc(OCc2ccc(CN3CCNCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.60
NPC1 O15118 3/20 0.59
KDM4E B2RXH2 2/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAB9A P51151 2/20 0.56
SIGMAR1 Q99720 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
CXCR4 P61073 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL1780598 0.94 KDM4E (0.61) HRH3KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2235571 0.88 TSHR (0.56) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2231843 0.88 HRH3 (0.64) HRH3NPC1KDM4ETP53MEN1
SCHEMBL14859644 0.87 SIGMAR1 (0.70) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2232053 0.87 HRH3 (0.63) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2231797 0.86 TSHR (0.54) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2233922 0.85 HRH3 (0.64) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2232752 0.85 HRH3 (0.66) HRH3NPC1KDM4ETP53MEN1
SCHEMBL2233305 0.85 HRH3 (0.56) HRH3NPC1KDM4ETP53MEN1
SCHEMBL14872735 0.82 TSHR (0.72) HRH3NPC1TP53MEN1KMT2A

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
CN-102791690-B As the disubstituted pyridines derivative of anticarcinogen OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-02 CN disclosed
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 HRH3 663/4885NPC1 3644/4885KDM4E 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.