SCHEMBL19784013

SCHEMBL19784013

CC[C@@H](NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.35
DYRK1A Q13627 1/20 0.35
KMT2A Q03164 4/20 0.34
PDE4A P27815 4/20 0.34
KCNH2 Q12809 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20969353 1.00 GSK3B (0.35) GSK3BDYRK1AKMT2APDE4AKCNH2
SCHEMBL19784014 1.00 GSK3B (0.35) GSK3BDYRK1AKMT2APDE4AKCNH2
SCHEMBL19783902 0.94 KMT2A (0.33) GSK3BKMT2APDE4AKCNH2LMNA
SCHEMBL20969339 0.94 KMT2A (0.33) GSK3BKMT2APDE4AKCNH2LMNA
SCHEMBL19783903 0.93 GSK3B (0.35) GSK3BDYRK1AKMT2APDE4AKCNH2
SCHEMBL19783905 0.93 GSK3B (0.35) GSK3BDYRK1AKMT2APDE4AKCNH2
SCHEMBL19784018 0.92 PDE4A (0.33) GSK3BKMT2APDE4AKCNH2LMNA
SCHEMBL22590976 0.89 KDM4E (0.39) GSK3BPDE4AKCNH2LMNAKDM4E
SCHEMBL21220030 0.89 ALOX5AP (0.37) GSK3BDYRK1APDE4AKCNH2
SCHEMBL19783488 0.89 ALOX5AP (0.37) GSK3BDYRK1APDE4AKCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
US-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-08 US disclosed
US-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-08 US disclosed
EP-3481823-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-05-15 EP disclosed
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 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-20190241562-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF GLS, TNNI3, AADAC GSK3B 3455/4885DYRK1A 2447/4885KMT2A 3602/4885

“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.