SCHEMBL6080236

SCHEMBL6080236

Cc1c(C(=O)O)nc2c(F)cccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
ALB P02768 1/20 0.41
ADORA2A P29274 8/20 0.40
ADORA1 P30542 4/20 0.40
P2RX3 P56373 1/20 0.39
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 2/20 0.36
PDE10A Q9Y233 1/20 0.36
DYRK3 O43781 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
DHODH Q02127 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
SCHEMBL6080384 0.84 KDM4E (0.46) P2RX3ALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL6080337 0.82 CDK9 (0.41) P2RX3ALDH1A1MAPTSMN1; SMN2DYRK1A
SCHEMBL6080402 0.82 PARP1 (0.44) P2RX3ALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL6080782 0.79 DHODH (0.50) ALDH1A1MAPTSMN1; SMN2PDE10ADHODH
SCHEMBL6080196 0.79 CNR2 (0.37) P2RX3ALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL6080920 0.79 PDE10A (0.50) ADORA2AALDH1A1MAPTSMN1; SMN2DYRK1A
SCHEMBL2123640 0.79 PARP1 (0.36) AURKAADORA2AADORA1GRM2PDE10A
SCHEMBL28852217 0.79 PARP1 (0.36) AURKAADORA2AADORA1P2RX3GRM2
SCHEMBL6080122 0.78 SLC22A12 (0.37) ADORA2AADORA1P2RX3GRM2ALDH1A1
SCHEMBL1123893 0.78 ALB (0.46) AURKAALBADORA2AADORA1P2RX3

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 4 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
EP-1000060-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999002528-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL AURKA 1426/4885ALB 2810/4885ADORA2A 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.