SCHEMBL6080122

SCHEMBL6080122

Cc1c(C(=O)O)nc2c(C#N)cccc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.37
PIN1 Q13526 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4A O75164 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
XDH P47989 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PKMYT1 Q99640 2/20 0.35
CXCR2 P25025 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6080873 0.83 ADORA2A (0.36) SLC22A12PIN1ADORA2AADORA1CA1
SCHEMBL6080384 0.81 KDM4E (0.46) CA1CA2KDM4AKDM4EPDE10A
SCHEMBL6079550 0.81 PIN1 (0.41) PIN1KDM4AKDM5BKDM4EXDH
SCHEMBL6080139 0.78 DHODH (0.36) PIN1KDM4EHTTALDH1A1MAPT
SCHEMBL6080402 0.78 PARP1 (0.44) KDM4EPDE10AP2RX3ALDH1A1MAPT
SCHEMBL6080236 0.78 AURKA (0.41) ADORA2AADORA1PDE10AP2RX3GRM2
SCHEMBL6080337 0.78 CDK9 (0.41) KDM4EPDE10AP2RX3ALDH1A1MAPT
SCHEMBL6080295 0.78 KDM4A (0.38) SLC22A12PIN1ADORA2AADORA1CA1
SCHEMBL6080506 0.78 P2RX3 (0.43) SLC22A12KDM5BKDM4EHTTP2RX3
SCHEMBL6079864 0.76 XDH (0.36) SLC22A12PIN1KDM4EXDHHTT

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 SLC22A12 2041/4885PIN1 3446/4885ADORA2A 1442/4885

“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.