SCHEMBL19784115

SCHEMBL19784115

O=C(NC1(C(F)(F)F)CCC1)c1cn(-c2ncc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.37
JAK2 O60674 2/20 0.37
TDO2 P48775 1/20 0.34
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PDE2A O00408 1/20 0.31
EPHA2 P29317 1/20 0.31
FLT4 P35916 1/20 0.31
GSK3B P49841 1/20 0.31
RARB P10826 1/20 0.31
TBXAS1 P24557 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE7A Q13946 1/20 0.31
SLC22A2 O15244 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18313065 0.89 JAK2 (0.36) NTRK1JAK2TDO2SCN9ASCN10A
SCHEMBL19784118 0.87 NTRK1 (0.38) NTRK1JAK2KMT2AEPHA2FLT4
SCHEMBL19784116 0.87 NTRK1 (0.38) NTRK1JAK2KMT2AEPHA2FLT4
SCHEMBL19784228 0.87 NTRK1 (0.38) NTRK1JAK2KMT2APDE2AEPHA2
SCHEMBL19784229 0.86 JAK2 (0.39) NTRK1JAK2KMT2AEPHA2FLT4
SCHEMBL19784085 0.86 NTRK1 (0.38) NTRK1JAK2KMT2AEPHA2FLT4
SCHEMBL19784086 0.85 NTRK1 (0.38) NTRK1JAK2KMT2APDE2AEPHA2
SCHEMBL19783591 0.84 TDO2 (0.36) NTRK1JAK2TDO2KMT2AMAP4K1
SCHEMBL19783597 0.84 TDO2 (0.35) NTRK1JAK2TDO2KMT2AEPHA2
SCHEMBL19783956 0.83 CNR1 (0.41) NTRK1JAK2CNR1CNR2ALDH1A1

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 4 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
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 NTRK1 1414/4885JAK2 3495/4885TDO2 3606/4885

“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.