SCHEMBL6080873

SCHEMBL6080873

N#Cc1cccc2c(O)c(Br)c(C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
CXCR2 P25025 2/20 0.35
SLC22A12 Q96S37 5/20 0.35
HTT P42858 1/20 0.35
CDK9 P50750 2/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
CXCR1 P25024 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DYRK2 Q92630 1/20 0.33
PIN1 Q13526 1/20 0.32

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
SCHEMBL6080339 0.84 ADORA2A (0.36) ADORA2AADORA1CA1CA2CXCR2
SCHEMBL6080122 0.83 SLC22A12 (0.37) ADORA2AADORA1CA1CA2KDM4A
SCHEMBL6079956 0.81 KDM4E (0.44) CA1CA2KDM4ACDK9DYRK1A
SCHEMBL6079987 0.78 MMP2 (0.41) KDM4ACDK9DYRK1ADYRK1BKDM4E
SCHEMBL6080295 0.78 KDM4A (0.38) ADORA2AADORA1CA1CA2KDM4A
SCHEMBL6594157 0.77 XDH (0.40) KDM4E
SCHEMBL6080303 0.76 KDM5B (0.36) ADORA2AADORA1KDM4AKDM5BSLC22A12
SCHEMBL6080342 0.76 F11 (0.33) CXCR2CXCR1KDM4EPIN1
SCHEMBL18012721 0.74 ADORA2A (0.56) ADORA2AADORA1CA1CA2
SCHEMBL6594338 0.74 ALDH1A1 (0.46) KDM4E

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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 ADORA2A 1442/4885ADORA1 1161/4885CA1 2702/4885

“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.