SCHEMBL19784124

SCHEMBL19784124

O=C(NC(C(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
NTRK1 P04629 2/20 0.32
JAK2 O60674 1/20 0.32
BTK Q06187 3/20 0.32
EPHA2 P29317 1/20 0.32
FLT4 P35916 1/20 0.32
GSK3B P49841 1/20 0.32
RARB P10826 1/20 0.32
TBXAS1 P24557 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
NFKB1 P19838 1/20 0.31
HTT P42858 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL19784135 0.93 KMT2A (0.33) KMT2ANTRK1JAK2BTKEPHA2
SCHEMBL29980792 0.90 KMT2A (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL19987052 0.90 KMT2A (0.38) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL21220084 0.90 NTRK1 (0.36) KMT2ANTRK1JAK2BTKLMNA
SCHEMBL21220059 0.86 BTK (0.33) KMT2ANTRK1JAK2BTKEPHA2
SCHEMBL19784064 0.85 EPHA2 (0.37) KMT2ANTRK1JAK2EPHA2FLT4
SCHEMBL19783545 0.85 EPHA2 (0.37) KMT2ANTRK1JAK2EPHA2FLT4
SCHEMBL19783547 0.85 EPHA2 (0.37) KMT2ANTRK1JAK2EPHA2FLT4
SCHEMBL19784063 0.85 EPHA2 (0.37) KMT2ANTRK1JAK2EPHA2FLT4
SCHEMBL19784138 0.84 NTRK1 (0.36) KMT2ANTRK1JAK2BTKLMNA

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 3 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
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 KMT2A 3602/4885NTRK1 1414/4885JAK2 3495/4885

“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.