SCHEMBL2245172

SCHEMBL2245172

N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 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
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 5/20 0.37
MAPT P10636 4/20 0.37
KHK P50053 12/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1918969 0.89 KDM4E (0.39) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL2249138 0.88 KDM4E (0.42) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL2246653 0.87 GSK3B (0.34) KDM4ELMNAALDH1A1MEN1HPGD
SCHEMBL2247032 0.86 GSK3B (0.39) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL17012169 0.85 KDM4E (0.36) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL2243917 0.83 JAK3 (0.44) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL17012170 0.79 KDM4E (0.36) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL2252780 0.76 JAK3 (0.44) KDM4ELMNAALDH1A1L3MBTL1MEN1
SCHEMBL1919395 0.75 GSK3B (0.48) KDM4ETDP1MAPT
SCHEMBL1919317 0.74 KDM4E (0.41) KDM4ELMNAALDH1A1L3MBTL1MEN1

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-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed
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
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 620/4885LMNA 1499/4885ALDH1A1 3456/4885

“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.