SCHEMBL19783488

SCHEMBL19783488

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.37
FEN1 P39748 7/20 0.37
PDE4A P27815 4/20 0.37
KCNH2 Q12809 3/20 0.37
JAK2 O60674 2/20 0.35
NTRK1 P04629 2/20 0.35
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34

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
SCHEMBL21220030 1.00 ALOX5AP (0.37) ALOX5APFEN1PDE4AKCNH2JAK2
SCHEMBL19784180 0.93 PDE4A (0.36) PDE4AKCNH2GSK3B
SCHEMBL19784041 0.91 PDE4A (0.34) PDE4AKCNH2GSK3B
SCHEMBL20969297 0.90 PDE4A (0.34) PDE4AKCNH2GSK3B
SCHEMBL19784156 0.90 PDE4A (0.34) PDE4AKCNH2GSK3B
SCHEMBL20969353 0.89 GSK3B (0.35) PDE4AKCNH2GSK3BDYRK1A
SCHEMBL20969329 0.89 PDE4A (0.35) PDE4AKCNH2NTRK1
SCHEMBL19784014 0.89 GSK3B (0.35) PDE4AKCNH2GSK3BDYRK1A
SCHEMBL19784013 0.89 GSK3B (0.35) PDE4AKCNH2GSK3BDYRK1A
SCHEMBL19784018 0.88 PDE4A (0.33) PDE4AKCNH2GSK3B

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 ALOX5AP 1831/4885FEN1 3608/4885PDE4A 793/4885

“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.