SCHEMBL5873052

SCHEMBL5873052

CCN(C)C1CN(C(=O)c2nc(-c3n[nH]c4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.34
HCRTR2 O43614 13/20 0.34
KDM5A P29375 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL5873094 0.89 ADORA2A (0.37) HCRTR1HCRTR2KDM5APDE10A
SCHEMBL5774120 0.88 KDM5A (0.40) HCRTR1HCRTR2KDM5AHRH3DYRK1A
SCHEMBL5769407 0.87 DYRK1A (0.35) HCRTR1HCRTR2KDM5AHRH3DYRK1A
SCHEMBL5873229 0.85 DRD2 (0.35) HCRTR1HCRTR2KDM5AALDH1A1
SCHEMBL5770207 0.84 KDM5A (0.41) KDM5A
SCHEMBL5770403 0.84 PIM1 (0.42) HCRTR1HCRTR2KDM5ADYRK1AALDH1A1
SCHEMBL5872958 0.84 MKNK1 (0.43) HCRTR1HCRTR2KDM5AALDH1A1
SCHEMBL5873158 0.84 PIM1 (0.39) HCRTR1HCRTR2KDM5ADYRK1AALDH1A1
SCHEMBL5873054 0.83 PIM1 (0.40) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL5872866 0.82 KDM5A (0.40) HCRTR1HCRTR2KDM5ADYRK1A

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 HCRTR1 4881/4885HCRTR2 4876/4885KDM5A 2543/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885KDM5A 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.