Sugi Predict

Sugi Predict / Compounds / SCHEMBL19784041

SCHEMBL19784041

SCHEMBL19784041

O=C(NC(C(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.34
▸ KCNH2 Q12809 5/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ EPHA2 P29317 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 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
SCHEMBL20969297 0.95 PDE4A (0.34) PDE4AKCNH2MALT1EPHA2FLT4
SCHEMBL19784156 0.95 PDE4A (0.34) PDE4AKCNH2MALT1EPHA2FLT4
SCHEMBL19783488 0.91 ALOX5AP (0.37) PDE4AKCNH2GSK3B
SCHEMBL21220030 0.91 ALOX5AP (0.37) PDE4AKCNH2GSK3B
SCHEMBL19784018 0.90 PDE4A (0.33) PDE4AKCNH2MALT1EPHA2FLT4
SCHEMBL20969353 0.89 GSK3B (0.35) PDE4AKCNH2EPHA2FLT4GSK3B
SCHEMBL19784014 0.89 GSK3B (0.35) PDE4AKCNH2EPHA2FLT4GSK3B
SCHEMBL19784013 0.89 GSK3B (0.35) PDE4AKCNH2EPHA2FLT4GSK3B
SCHEMBL19973794 0.88 EPHA2 (0.35) PDE4AKCNH2EPHA2FLT4GSK3B
SCHEMBL29980363 0.88 EPHA2 (0.35) PDE4AKCNH2EPHA2FLT4GSK3B

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
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
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 PDE4A 793/4885KCNH2 1611/4885MALT1 1988/4885

“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.