SCHEMBL5873091

SCHEMBL5873091

Cc1cccc2c(-c3nc(C(=O)N4CCC(N(C)C(C)C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.41
DYRK1A Q13627 1/20 0.37
PIM1 P11309 3/20 0.37
CCR5 P51681 2/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2B P29275 7/20 0.35
ADORA2A P29274 4/20 0.35
SIGLEC9 Q9Y336 2/20 0.34
ATAD2 Q6PL18 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
SCHEMBL5768174 0.93 KDM5A (0.39) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5772822 0.93 KDM5A (0.39) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5873012 0.91 KDM5A (0.41) KDM5ADYRK1APIM1ADORA2BADORA2A
SCHEMBL5873060 0.91 DYRK1A (0.40) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5873097 0.90 KDM5A (0.39) KDM5ADYRK1APIM1CCR5KCNH2
SCHEMBL5770048 0.87 PIM1 (0.43) KDM5APIM1ADORA2B
SCHEMBL5769674 0.86 PIM1 (0.40) KDM5APIM1CCR5KCNH2SIGLEC9
SCHEMBL5872923 0.85 HRH4 (0.45) KDM5ADYRK1APIM1ADORA2BSIGLEC9
SCHEMBL5873096 0.85 DYRK1A (0.38) KDM5ADYRK1APIM1
SCHEMBL5872880 0.84 CYP2C9 (0.43) KDM5APIM1ADORA2BADORA2A

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 KDM5A 2543/4885DYRK1A 1836/4885PIM1 1909/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM5A 2543/4885DYRK1A 1836/4885PIM1 1909/4885

“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.