SCHEMBL5872923

SCHEMBL5872923

CNC1CCN(C(=O)c2nc(-c3n[nH]c4c(C)cccc34)sc2-c2cccnc2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.45
KDM5A P29375 2/20 0.39
SIGLEC9 Q9Y336 2/20 0.38
PIM1 P11309 3/20 0.37
ADORA2B P29275 2/20 0.36
WNT1 P04628 2/20 0.36
DYRK1A Q13627 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
SPR P35270 1/20 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
SCHEMBL5872866 0.90 KDM5A (0.40) HRH4KDM5ASIGLEC9PIM1ADORA2B
SCHEMBL5770048 0.90 PIM1 (0.43) KDM5APIM1ADORA2B
SCHEMBL5768174 0.88 KDM5A (0.39) KDM5APIM1WNT1DYRK1ACDK4
SCHEMBL5772822 0.88 KDM5A (0.39) KDM5APIM1WNT1DYRK1ACDK4
SCHEMBL5873046 0.87 CYP2C9 (0.43) HRH4KDM5APIM1
SCHEMBL5769674 0.87 PIM1 (0.40) KDM5ASIGLEC9PIM1
SCHEMBL5873097 0.86 KDM5A (0.39) KDM5APIM1ADORA2BDYRK1A
SCHEMBL5772558 0.86 ADORA2A (0.39) KDM5APIM1ADORA2B
SCHEMBL5873060 0.86 DYRK1A (0.40) KDM5ASIGLEC9PIM1WNT1DYRK1A
SCHEMBL5872880 0.85 CYP2C9 (0.43) KDM5APIM1ADORA2B

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 HRH4 4233/4885KDM5A 2543/4885SIGLEC9 3645/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HRH4 4233/4885KDM5A 2543/4885SIGLEC9 3645/4885

“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.