SCHEMBL19784112

SCHEMBL19784112

O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncccc2F)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.35
KCNH2 Q12809 11/20 0.35
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
CYP2C9 P11712 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL21220040 1.00 PDE4A (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL19784110 1.00 PDE4A (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL21220083 0.92 P2RX7 (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL19784175 0.92 P2RX7 (0.35) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL18313686 0.90 P2RX7 (0.34) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL20531975 0.90 P2RX7 (0.34) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL20532165 0.90 P2RX7 (0.34) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL22331764 0.90 P2RX7 (0.34) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL19783950 0.89 ULK1 (0.34) KCNH2
SCHEMBL19783951 0.89 ULK1 (0.34) KCNH2

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 PDE4A 793/4885KCNH2 1611/4885PDE4B 1050/4885

“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.