SCHEMBL5873094

SCHEMBL5873094

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CC(O)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
ADORA2B P29275 3/20 0.36
KDM5A P29375 1/20 0.36
PIM1 P11309 4/20 0.35
PDE10A Q9Y233 1/20 0.35
HCRTR1 O43613 8/20 0.35
HCRTR2 O43614 8/20 0.35

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
SCHEMBL5770207 0.94 KDM5A (0.41) ADORA2BKDM5APIM1
SCHEMBL5772558 0.89 ADORA2A (0.39) ADORA2AADORA2BKDM5APIM1PDE10A
SCHEMBL5770403 0.89 PIM1 (0.42) KDM5APIM1HCRTR1HCRTR2
SCHEMBL5872958 0.89 MKNK1 (0.43) KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873052 0.89 HCRTR1 (0.34) KDM5APDE10AHCRTR1HCRTR2
SCHEMBL5873158 0.89 PIM1 (0.39) KDM5APIM1PDE10AHCRTR1HCRTR2
SCHEMBL5872866 0.87 KDM5A (0.40) ADORA2BKDM5APIM1HCRTR1HCRTR2
SCHEMBL5774120 0.87 KDM5A (0.40) KDM5APIM1HCRTR1HCRTR2
SCHEMBL5872913 0.86 DYRK1A (0.40) ADORA2AKDM5APIM1HCRTR1HCRTR2
SCHEMBL5769495 0.86 GPR35 (0.39) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ADORA2A 4569/4885ADORA2B 4130/4885KDM5A 2543/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ADORA2A 4569/4885ADORA2B 4130/4885KDM5A 2543/4885

“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.