SCHEMBL19784231

SCHEMBL19784231

CC(C)C[C@H](NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.34
KCNH2 Q12809 5/20 0.34
TDO2 P48775 1/20 0.33
NTRK1 P04629 7/20 0.33
JAK2 O60674 5/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATP6V1B2 P21281 1/20 0.32
TBXA2R P21731 1/20 0.32
EDNRA P25101 1/20 0.32
TARBP2 Q15633 1/20 0.32
MCHR1 Q99705 1/20 0.32
ELANE P08246 1/20 0.31
HTR3A P46098 2/20 0.31
ALK Q9UM73 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
SCHEMBL19784209 1.00 PDE4A (0.34) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL19784208 1.00 PDE4A (0.34) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL21220043 0.93 GSK3B (0.37) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL19784193 0.93 GSK3B (0.37) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL22590984 0.90 JAK2 (0.33) PDE4AKCNH2NTRK1JAK2CYP2C9
SCHEMBL21220090 0.90 TDO2 (0.34) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL19783592 0.90 GSK3B (0.36) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL19784089 0.90 TDO2 (0.34) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL20531772 0.89 CMA1 (0.34) PDE4AKCNH2TDO2NTRK1JAK2
SCHEMBL18313523 0.89 CMA1 (0.34) PDE4AKCNH2TDO2NTRK1JAK2

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 5 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
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 1611/4885TDO2 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.