SCHEMBL6282648

SCHEMBL6282648

O=C(NCc1ccccc1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.68
CDK2 P24941 2/20 0.67
CCNE1 P24864 1/20 0.67
CDK5 Q00535 1/20 0.67
ATG4B Q9Y4P1 5/20 0.64
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
DYRK1A Q13627 1/20 0.64
HIPK4 Q8NE63 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
KDR P35968 1/20 0.62
CNR1 P21554 1/20 0.60
GSTO1 P78417 1/20 0.58
ACP1 P24666 1/20 0.57
SCD O00767 1/20 0.56
MMP3 P08254 1/20 0.54
IKBKB O14920 1/20 0.54
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL18529274 0.82 ATG4B (0.65) NAMPTCDK2ATG4BGSK3AGSK3B
SCHEMBL6282357 0.82 CDK2 (0.67) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL6279102 0.82 ATG4B (0.65) CDK2ATG4BGSK3AGSK3BDYRK1A
SCHEMBL6288010 0.82 CDK2 (0.69) NAMPTCDK2CCNE1CDK5ATG4B
SCHEMBL20380071 0.81 NAMPT (1.00) NAMPTKDRCNR1ROCK2ROCK1
SCHEMBL18541819 0.81 ATG4B (0.64) NAMPTCDK2CDK5ATG4BGSK3A
SCHEMBL6281775 0.80 CNR1 (0.82) NAMPTCDK2CCNE1CDK5GSK3B
SCHEMBL18541822 0.80 CDK2 (0.68) CDK2CCNE1CDK5ATG4BGSK3A
SCHEMBL18529288 0.79 ATG4B (0.61) CDK2ATG4BGSK3AGSK3BDYRK1A
SCHEMBL18541864 0.79 ATG4B (0.61) CDK2ATG4BGSK3AGSK3BDYRK1A

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 5 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
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 NAMPT 2181/4885CDK2 3/4885CCNE1 83/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 NAMPT 2181/4885CDK2 3/4885CCNE1 83/4885

“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.