SCHEMBL5873096

SCHEMBL5873096

CCc1cccc2c(-c3nc(C(=O)N4CCC(N(C)C)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
KDM5A P29375 1/20 0.37
PIM1 P11309 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
MCHR1 Q99705 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
ATR Q13535 1/20 0.35
WNT1 P04628 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL5772822 0.92 KDM5A (0.39) DYRK1AKDM5APIM1HRH3JAK2
SCHEMBL5768174 0.92 KDM5A (0.39) DYRK1AKDM5APIM1HRH3JAK2
SCHEMBL5873097 0.87 KDM5A (0.39) DYRK1AKDM5APIM1JAK1HCRTR1
SCHEMBL5873060 0.87 DYRK1A (0.40) DYRK1AKDM5APIM1ATRWNT1
SCHEMBL5774120 0.87 KDM5A (0.40) DYRK1AKDM5APIM1HRH3JAK2
SCHEMBL5771710 0.86 KDM5A (0.39) DYRK1AKDM5AHRH3JAK2JAK1
SCHEMBL5769944 0.86 KDM5A (0.39) DYRK1AKDM5AHRH3JAK2JAK1
SCHEMBL5873198 0.86 KDM5A (0.40) DYRK1AKDM5APIM1HRH3ATR
SCHEMBL5872948 0.85 ALDH1A1 (0.39) DYRK1APIM1WNT1
SCHEMBL5873098 0.85 KDM5A (0.39) DYRK1AKDM5APIM1HRH3ATR

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