SCHEMBL6080337

SCHEMBL6080337

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.41
DYRK1A Q13627 4/20 0.41
DYRK1B Q9Y463 4/20 0.41
DYRK2 Q92630 3/20 0.41
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
P2RX3 P56373 1/20 0.36
PDE10A Q9Y233 2/20 0.36
DYRK3 O43781 1/20 0.36
DHODH Q02127 2/20 0.36
PRNP P04156 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
EIF4A1 P60842 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6080384 0.84 KDM4E (0.46) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6080236 0.82 AURKA (0.41) DYRK1ADYRK1BDYRK2MAPTALDH1A1
SCHEMBL6080402 0.82 PARP1 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2P2RX3
SCHEMBL6080782 0.79 DHODH (0.50) MAPTKDM4EALDH1A1SMN1; SMN2PDE10A
SCHEMBL6080196 0.79 CNR2 (0.37) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6080920 0.79 PDE10A (0.50) CDK9DYRK1AMAPTGAAKDM4E
SCHEMBL2712037 0.79 MAPT (0.43) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL22734576 0.79 P2RX3 (0.45) MAPTGAAKDM4EALDH1A1P2RX3
SCHEMBL6080122 0.78 SLC22A12 (0.37) MAPTKDM4EALDH1A1SMN1; SMN2P2RX3
SCHEMBL6080679 0.77 TSHR (0.49) MAPTGAAKDM4EALDH1A1SMN1; SMN2

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 CDK9 2944/4885DYRK1A 2300/4885DYRK1B 2170/4885

“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.