SCHEMBL2236508

SCHEMBL2236508

Brc1ccc(OCCc2ccc(CN3CCNCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
CXCR4 P61073 4/20 0.48
MEN1 O00255 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
CCR2 P41597 1/20 0.48
CXCL12 P48061 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL2231202 0.87 DRD2 (0.53) LTA4HHRH3CXCR4MEN1CHRM2
SCHEMBL2233553 0.87 LTA4H (0.50) LTA4HHRH3CXCR4MEN1CHRM2
Hydrochloric Acid SCHEMBL2231679 0.86 CXCR4 (0.50) LTA4HHRH3CXCR4MEN1CHRM2
SCHEMBL2294267 0.86 SIGMAR1 (0.54) LTA4HHRH3SIGMAR1TSHRSMN1; SMN2
SCHEMBL2231787 0.86 CXCR4 (0.59) LTA4HHRH3CXCR4MEN1CHRM2
SCHEMBL2232165 0.86 CXCR4 (0.59) LTA4HHRH3CXCR4MEN1CHRM2
SCHEMBL2236728 0.86 SIGMAR1 (0.54) LTA4HHRH3SIGMAR1TSHRSMN1; SMN2
SCHEMBL2231797 0.86 TSHR (0.54) LTA4HHRH3CXCR4MEN1CHRM2
Hydrochloric Acid SCHEMBL2296823 0.86 DRD2 (0.52) LTA4HHRH3CXCR4MEN1CHRM2
Hydrochloric Acid SCHEMBL2235797 0.85 HRH3 (0.52) LTA4HHRH3CXCR4MEN1CHRM2

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 LTA4H 3705/4885HRH3 663/4885CXCR4 1153/4885

“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.