SCHEMBL19783606

SCHEMBL19783606

CC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCOCC3)ccc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
MAPK8 P45983 3/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.36
ALK Q9UM73 2/20 0.36
MET P08581 1/20 0.36
PIK3CB P42338 5/20 0.35
IMPDH2 P12268 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
SHMT2 P34897 2/20 0.35
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35

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
SCHEMBL19783612 0.89 PDE4A (0.33) KMT2ANTRK1RAF1BRAF
SCHEMBL19784138 0.89 NTRK1 (0.36) BTKMEN1KMT2ANTRK1
SCHEMBL19784204 0.89 KDM4E (0.36) KMT2ANTRK1
SCHEMBL21220084 0.88 NTRK1 (0.36) BTKMEN1KMT2ANTRK1
SCHEMBL19784203 0.88 KMT2A (0.37) MAPK8KMT2ANTRK1
SCHEMBL19784195 0.87 MEN1 (0.39) BTKMAPK8MEN1GAAKMT2A
SCHEMBL21238304 0.87 MEN1 (0.39) BTKMAPK8MEN1GAAKMT2A
SCHEMBL19783962 0.87 NTRK1 (0.36) MEN1KMT2ANTRK1
SCHEMBL19784127 0.87 PDE4A (0.35) NTRK1ALK
SCHEMBL19784130 0.86 IMPDH2 (0.40) BTKMAPK8MEN1GAAKMT2A

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 BTK 3556/4885MAPK8 1132/4885MEN1 2718/4885

“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.