SCHEMBL6282357

SCHEMBL6282357

O=C(NCc1ccccc1)Nc1ncc(Br)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.67
CCNE1 P24864 1/20 0.67
CDK5 Q00535 1/20 0.67
ATG4B Q9Y4P1 11/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
DYRK1A Q13627 1/20 0.65
HIPK4 Q8NE63 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
MMP3 P08254 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL6279102 0.83 ATG4B (0.65) CDK2ATG4BGSK3AGSK3BDYRK1A
SCHEMBL18529274 0.83 ATG4B (0.65) CDK2ATG4BGSK3AGSK3BDYRK1A
SCHEMBL18541819 0.82 ATG4B (0.64) CDK2CDK5ATG4BGSK3AGSK3B
SCHEMBL6282648 0.82 NAMPT (0.68) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL18541822 0.81 CDK2 (0.68) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL27780255 0.81 CCNE1 (0.71) CDK2CCNE1CDK5MEN1ALDH1A1
SCHEMBL18529292 0.80 CDK2 (0.69) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL18529267 0.80 ATG4B (0.61) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL18541864 0.80 ATG4B (0.61) CDK2ATG4BGSK3AGSK3BDYRK1A
SCHEMBL6288010 0.80 CDK2 (0.69) CDK2CCNE1CDK5ATG4BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US claimed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 US claimed
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed
WO-2017027984-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CANCER BY INHIBITING ATG4B AND BLOCKING AUTOPHAGY SIMON FRASER UNIVERSITY (CA) 2017-02-23 WO disclosed
US-6863647-B2 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2005-03-08 US disclosed
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PEVARELLO PAOLO (IT) 2004-08-12 US disclosed
US-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CDK2 3/4885CCNE1 83/4885CDK5 129/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CDK2 3/4885CCNE1 83/4885CDK5 129/4885

“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.