SCHEMBL19783612

SCHEMBL19783612

CC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CC4(COC4)C3)ccc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.33
KCNH2 Q12809 3/20 0.33
HTR3A P46098 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
NTRK1 P04629 4/20 0.31
JAK2 O60674 3/20 0.31
KIF18A Q8NI77 1/20 0.31
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31

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
SCHEMBL19783962 0.90 NTRK1 (0.36) PDE4AKCNH2IRAK4KDM4EALDH1A1
SCHEMBL19783606 0.89 BTK (0.38) NTRK1RAF1BRAFKMT2A
SCHEMBL19784204 0.87 KDM4E (0.36) PDE4AKCNH2HTR3AIRAK4KDM4E
SCHEMBL21220041 0.86 KIF18A (0.33) HTR3AKDM4EALDH1A1LMNAPOLB
SCHEMBL19784138 0.86 NTRK1 (0.36) IRAK4KDM4EALDH1A1LMNAPOLB
SCHEMBL21220084 0.84 NTRK1 (0.36) IRAK4KDM4EALDH1A1LMNAPOLB
SCHEMBL19784203 0.84 KMT2A (0.37) IRAK4KDM4EALDH1A1LMNAPOLB
SCHEMBL19784166 0.84 EPHA2 (0.43) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL19784127 0.84 PDE4A (0.35) PDE4AKCNH2HTR3AIRAK4KDM4E
SCHEMBL19784180 0.82 PDE4A (0.36) PDE4AKCNH2IRAK4KDM4EALDH1A1

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 1611/4885HTR3A 897/4885

“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.