SCHEMBL19783954

SCHEMBL19783954

CC(C)(CC(F)(F)F)NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCNC3=O)ccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.34
JAK2 O60674 9/20 0.33
NTRK1 P04629 9/20 0.33
MCHR1 Q99705 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
ATP6V1B2 P21281 1/20 0.33
TBXA2R P21731 1/20 0.33
EDNRA P25101 1/20 0.33
TARBP2 Q15633 1/20 0.33
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

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
SCHEMBL18313676 0.89 CMA1 (0.34) TDO2JAK2NTRK1LMNACYP2C9
SCHEMBL21220057 0.87 NTRK1 (0.33) JAK2NTRK1LMNAKDM4EALDH1A1
SCHEMBL19784078 0.87 NTRK1 (0.33) JAK2NTRK1LMNAKDM4EALDH1A1
SCHEMBL19783935 0.86 ALDH1A1 (0.36) JAK2NTRK1LMNAKDM4EALDH1A1
SCHEMBL18313410 0.86 CMA1 (0.34) TDO2JAK2NTRK1CRHR1CMA1
SCHEMBL19783937 0.85 KMT2A (0.37) JAK2NTRK1LMNAKDM4EALDH1A1
SCHEMBL21220090 0.85 TDO2 (0.34) TDO2JAK2NTRK1MCHR1LMNA
SCHEMBL19784089 0.85 TDO2 (0.34) TDO2JAK2NTRK1MCHR1LMNA
SCHEMBL19783591 0.84 TDO2 (0.36) TDO2JAK2NTRK1MCHR1LMNA
SCHEMBL21220043 0.84 GSK3B (0.37) TDO2JAK2NTRK1MCHR1LMNA

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 3606/4885JAK2 3495/4885NTRK1 1414/4885

“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.