SCHEMBL5769407

SCHEMBL5769407

CCN(C)C1CN(C(=O)c2nc(-c3n[nH]c4c(C)cc(C)cc34)sc2-c2cccnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PIM1 P11309 9/20 0.34
KDM5A P29375 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAP2K4 P45985 1/20 0.34
GFER P55789 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL5872896 0.94 HRH3 (0.39) DYRK1AKDM4EALDH1A1PIM1KDM5A
SCHEMBL5873103 0.94 PIM1 (0.35) DYRK1AKDM4EALDH1A1PIM1KDM5A
SCHEMBL5873087 0.90 KDM5A (0.39) DYRK1APIM1KDM5AHCRTR1HCRTR2
SCHEMBL5873198 0.88 KDM5A (0.40) DYRK1APIM1KDM5AHCRTR1HCRTR2
SCHEMBL5873052 0.87 HCRTR1 (0.34) DYRK1AKDM4EALDH1A1KDM5AHCRTR1
SCHEMBL5872806 0.86 DYRK1A (0.41) DYRK1APIM1KDM5AHCRTR1HCRTR2
SCHEMBL5873012 0.85 KDM5A (0.41) DYRK1APIM1KDM5AHCRTR1HCRTR2
SCHEMBL5769525 0.84 PIM1 (0.41) DYRK1AALDH1A1PIM1MAP2K4HRH3
SCHEMBL5873067 0.84 MKNK1 (0.43) KDM4EALDH1A1PIM1KDM5AMAP2K4
SCHEMBL5775804 0.84 PIM1 (0.38) DYRK1APIM1KDM5AHCRTR1HCRTR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP claimed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US claimed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US claimed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO claimed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US claimed
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 1836/4885KDM4E 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885KDM4E 2869/4885ALDH1A1 2272/4885

“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.