SCHEMBL5872896

SCHEMBL5872896

CCN(C)C1CCN(C(=O)c2nc(-c3n[nH]c4c(C)cc(C)cc34)sc2-c2cccnc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
KDM5A P29375 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM1 P11309 9/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5873087 0.94 KDM5A (0.39) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5769407 0.94 DYRK1A (0.35) HRH3KDM5ADYRK1APIM1HCRTR1
SCHEMBL5873198 0.93 KDM5A (0.40) HRH3KDM5ADYRK1APIM1HCRTR1
SCHEMBL5873012 0.90 KDM5A (0.41) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5873103 0.90 PIM1 (0.35) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5872806 0.90 DYRK1A (0.41) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5873098 0.86 KDM5A (0.39) HRH3KDM5ADYRK1APIM1HCRTR1
SCHEMBL5873097 0.85 KDM5A (0.39) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5872978 0.85 CYP2C9 (0.42) HRH3KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873011 0.84 KDM5A (0.41) KDM5ADYRK1AHCRTR1HCRTR2

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 HRH3 3974/4885KDM5A 2543/4885DYRK1A 1836/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HRH3 3974/4885KDM5A 2543/4885DYRK1A 1836/4885

“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.