SCHEMBL4297370

SCHEMBL4297370

O=CCn1c(=O)cnc2cc(F)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.41
CYP3A4 P08684 15/20 0.41
TSHR P16473 14/20 0.41
ALDH1A1 P00352 13/20 0.41
CYP2C19 P33261 12/20 0.41
USP2 O75604 10/20 0.41
LMNA P02545 7/20 0.41
CYP2C9 P11712 12/20 0.34
CASP1 P29466 6/20 0.34
HSD17B10 Q99714 5/20 0.34
CASP7 P55210 5/20 0.34
HPGD P15428 5/20 0.34
CYP2D6 P10635 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HBB P68871 1/20 0.34
MAPK1 P28482 5/20 0.34
BRCA1 P38398 1/20 0.34
CLK4 Q9HAZ1 5/20 0.33
HIF1A Q16665 3/20 0.33

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
SCHEMBL4297396 0.77 USP2 (0.31) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL2799084 0.75 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL4143815 0.75 CYP1A2 (0.39) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL2512106 0.75 KCNH2 (0.42) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL4144852 0.74 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL19212698 0.74 GGPS1 (0.35) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL3520140 0.72 KCNH2 (0.41) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL12090831 0.69 CYP1A2 (0.39) CYP1A2CYP3A4TSHRALDH1A1CYP2C19
SCHEMBL4302268 0.69 PRPS1 (0.33)
SCHEMBL4141389 0.69 CYP1A2 (0.36) CYP1A2CYP3A4TSHRALDH1A1CYP2C19

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-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ CYP1A2 1854/4885CYP3A4 704/4885TSHR 3974/4885

“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.