SCHEMBL6285587

SCHEMBL6285587

COc1cc(CNC(=O)Nc2ncc(C(C)C)s2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 3/20 0.53
CDK2 P24941 8/20 0.52
CDK5 Q00535 7/20 0.52
GSK3B P49841 5/20 0.52
GSK3A P49840 3/20 0.52
RPS6KB1 P23443 1/20 0.52
AURKB Q96GD4 1/20 0.52
ROCK1 Q13464 2/20 0.51
CCNE1 P24864 6/20 0.50
CCNT1 O60563 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48

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
SCHEMBL6278437 0.88 GSK3B (0.66) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6288017 0.86 SMN1; SMN2 (0.52) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL5835758 0.83 CCNE1 (0.66) CDK2CDK5CCNE1CCNT1ALDH1A1
SCHEMBL6282804 0.83 ALDH1A1 (0.57) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6286767 0.81 CDK2 (0.48) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6282609 0.81 ROCK2 (0.52) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6286757 0.81 ROCK2 (0.52) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6288010 0.81 CDK2 (0.69) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL6283555 0.80 ATG4B (0.62) ATG4BCDK2CDK5GSK3BGSK3A
SCHEMBL5835951 0.79 CCNE1 (0.64) CDK2CDK5CCNE1CCNT1ALDH1A1

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 ATG4B 3360/4885CDK2 3/4885CDK5 129/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 ATG4B 3360/4885CDK2 3/4885CDK5 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.