SCHEMBL4294487

SCHEMBL4294487

C=CCn1c(=O)cnc2ncc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHMT2 P34897 1/20 0.33
ADORA2B P29275 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
NPC1 O15118 1/20 0.32
HCRTR1 O43613 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
APLNR P35414 1/20 0.31
TSHR P16473 1/20 0.31
FPR1 P21462 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
SCHEMBL4297396 0.86 USP2 (0.31) CYP3A4ALDH1A1TSHR
SCHEMBL4296849 0.83 KMT2A (0.47) CYP3A4GAAKMT2ASMN1; SMN2ADORA2B
SCHEMBL3868901 0.82 ALDH1A1 (0.40) CYP3A4GAAKMT2ASMN1; SMN2ADORA2B
SCHEMBL4301416 0.79 L3MBTL1 (0.40) GAAKMT2ASMN1; SMN2NPC1HCRTR1
SCHEMBL3859045 0.79 ALDH1A1 (0.39) CYP3A4MAPTTDP1ALDH1A1TSHR
SCHEMBL3862548 0.79 ALDH1A1 (0.39) CYP3A4SHMT2MAPTTDP1ALDH1A1
SCHEMBL2687942 0.79 KCNH2 (0.41) CYP3A4MAPTTDP1ALDH1A1KDM4E
SCHEMBL3857826 0.76 CYP3A4 (0.36) CYP3A4GAAKMT2ASMN1; SMN2ADORA2B
SCHEMBL4299490 0.74 SHMT2 (0.41) CYP3A4KMT2ASMN1; SMN2SHMT2ADORA2B
SCHEMBL21038298 0.70 ALOX5 (0.35) CYP3A4ALDH1A1TSHRKDM4EHPGD

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 CYP3A4 704/4885GAA 1815/4885KMT2A 2825/4885

“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.