SCHEMBL1918969

SCHEMBL1918969

N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 1/20 0.38
MAPK1 P28482 1/20 0.37
KHK P50053 10/20 0.35
IL1B P01584 2/20 0.34
BTK Q06187 2/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
UCHL1 P09936 1/20 0.33

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
SCHEMBL17012170 0.90 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2245172 0.89 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2247032 0.88 GSK3B (0.39) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL17012169 0.84 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL1919395 0.79 GSK3B (0.48) KDM4ETDP1GSK3BIL1BBTK
SCHEMBL2249138 0.77 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL1919317 0.76 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL7956666 0.76 GSK3B (0.47) GSK3BIL1BBTK
SCHEMBL2246653 0.76 GSK3B (0.34) KDM4EALDH1A1MEN1LMNAHPGD
SCHEMBL2252780 0.75 JAK3 (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA

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-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-8664246-B2 Substituted pyridines, and use thereof as GSK3 inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
US-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
EP-2326639-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-01 EP disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
WO-2010012398-A1 SUBSTITUTED PYRIDINES, AND USE THEREOF AS GSK3 INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 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-20110190316-A1 Substituted pyridines, and use thereof as Gsk3 inhibitors GSK3B, GSK3A, GSKIP KDM4E 620/4885ALDH1A1 3456/4885L3MBTL1 1010/4885

“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.