SCHEMBL6079276

SCHEMBL6079276

Cc1c(C(=O)O)nc2c(N)cccc2c1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RNASEH1 O60930 1/20 0.37
COPS5 Q92905 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL6079899 0.86 PARP1 (0.39) PARP1ELANEKDM4ETDP1COPS5
SCHEMBL6080440 0.86 P2RX3 (0.44) P2RX3PARP1KDM4ERNASEH1ALDH1A1
SCHEMBL6079250 0.84 TLR8 (0.43) PARP1KDM4EKCNH2TLR8
SCHEMBL6079655 0.84 RNASEH1 (0.43) P2RX3ADORA2AADORA1TDP1RNASEH1
SCHEMBL6080971 0.78 PARP1 (0.33) MEN1KMT2APARP1ELANEKDM4E
SCHEMBL6079783 0.78 PARP1 (0.45) KMT2APARP1ELANEKDM4ETDP1
SCHEMBL6080313 0.78 TSHR (0.41) ADORA2AADORA1KDM4ETDP1ALDH1A1
SCHEMBL6080402 0.77 PARP1 (0.44) P2RX3PARP1ELANEKDM4ETDP1
SCHEMBL6080252 0.77 P2RX3 (0.45) P2RX3ADORA2AADORA1MEN1KMT2A
SCHEMBL6079388 0.76 PARP1 (0.41) PARP1ELANEKDM4ETDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL P2RX3 465/4885ADORA2A 1442/4885ADORA1 1161/4885

“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.