SCHEMBL19784175

SCHEMBL19784175

O=C(N[C@H](C1CC1)C(F)(F)F)c1cn(-c2ncccc2Cl)c2nc(N3C[C@@H](O)CC3=O)ccc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
KCNH2 Q12809 12/20 0.34
PDE4A P27815 11/20 0.34
TRPV1 Q8NER1 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 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
SCHEMBL21220083 1.00 P2RX7 (0.35) P2RX7KCNH2PDE4ATRPV1PDE4B
SCHEMBL21220040 0.92 PDE4A (0.35) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL19784112 0.92 PDE4A (0.35) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL19784110 0.92 PDE4A (0.35) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL22331748 0.90 P2RX7 (0.36) P2RX7KCNH2PDE4A
SCHEMBL18313685 0.90 P2RX7 (0.36) P2RX7KCNH2PDE4A
SCHEMBL19783920 0.89 ULK1 (0.33) P2RX7KCNH2
SCHEMBL21220094 0.89 ULK1 (0.33) P2RX7KCNH2
SCHEMBL19783919 0.89 ULK1 (0.33) P2RX7KCNH2
SCHEMBL19784176 0.88 P2RX7 (0.37) P2RX7KCNH2PDE4ATRPV1

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
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 P2RX7 576/4885KCNH2 1611/4885PDE4A 793/4885

“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.