SCHEMBL2231841

SCHEMBL2231841

Cc1cc(C=CC(=O)N2CCNCC2)cc(C)c1Oc1ccc(OCc2ccc(F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
SCN7A Q01118 5/20 0.43
KCNH2 Q12809 5/20 0.43
SCN9A Q15858 4/20 0.43
GPR183 P32249 2/20 0.39
GSK3B P49841 1/20 0.39
BACE1 P56817 1/20 0.39
ACHE P22303 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.38
MLNR O43193 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2231835 1.00 HRH3 (0.44) HRH3SCN7AKCNH2SCN9AGPR183
SCHEMBL13581846 0.92 GSK3B (0.41) GPR183GSK3BBACE1ACHEALDH1A1
SCHEMBL13581844 0.92 GSK3B (0.41) GPR183GSK3BBACE1ACHEALDH1A1
SCHEMBL13583093 0.88 MAPK1 (0.39) HRH3SCN7AKCNH2SCN9AGPR183
SCHEMBL13583089 0.88 MAPK1 (0.39) HRH3SCN7AKCNH2SCN9AGPR183
SCHEMBL13582448 0.85 GSK3B (0.47) GSK3BBACE1ALDH1A1LMNA
SCHEMBL13582445 0.85 GSK3B (0.47) GSK3BBACE1ALDH1A1LMNA
SCHEMBL13582967 0.84 ACHE (0.47) HRH3GPR183ACHE
SCHEMBL13582062 0.84 ACHE (0.45) HRH3GPR183ACHE
SCHEMBL13582065 0.84 ACHE (0.45) HRH3GPR183ACHE

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 HRH3 663/4885SCN7A 4287/4885KCNH2 1267/4885

“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.