SCHEMBL19784089

SCHEMBL19784089

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 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.34
PDE4A P27815 4/20 0.33
KCNH2 Q12809 3/20 0.33
HTR3A P46098 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP4K1 Q92918 1/20 0.32
CYP2C9 P11712 1/20 0.31
ATP6V1B2 P21281 1/20 0.31
TBXA2R P21731 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
SCHEMBL21220090 1.00 TDO2 (0.34) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL19783591 0.95 TDO2 (0.36) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL19783592 0.91 GSK3B (0.36) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL19784231 0.90 PDE4A (0.34) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL19784208 0.90 PDE4A (0.34) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL19784209 0.90 PDE4A (0.34) TDO2PDE4AKCNH2HTR3ALMNA
SCHEMBL21440678 0.89 CMA1 (0.33) TDO2PDE4AKCNH2LMNAKDM4E
SCHEMBL20531660 0.89 CMA1 (0.33) TDO2PDE4AKCNH2LMNAKDM4E
SCHEMBL18313670 0.89 CMA1 (0.33) TDO2PDE4AKCNH2LMNAKDM4E
SCHEMBL21220043 0.89 GSK3B (0.37) TDO2PDE4AKCNH2HTR3ALMNA

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 TDO2 3606/4885PDE4A 793/4885KCNH2 1611/4885

“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.