SCHEMBL6286767

SCHEMBL6286767

COc1cc(CNC(=O)Nc2ncc(C(C)C)s2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.48
CDK5 Q00535 4/20 0.48
CCNE1 P24864 3/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
TRPV1 Q8NER1 4/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATG4B Q9Y4P1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM1A O60341 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL6282804 0.92 ALDH1A1 (0.57) CDK2CDK5CCNE1ALDH1A1CYP1A2
SCHEMBL6288017 0.86 SMN1; SMN2 (0.52) CDK2CDK5CCNE1ALDH1A1ATG4B
SCHEMBL5835475 0.85 SMN1; SMN2 (0.63) CDK2CDK5CCNE1ALDH1A1CYP2C9
SCHEMBL6278437 0.84 GSK3B (0.66) CDK2CDK5CCNE1ALDH1A1MEN1
SCHEMBL6285587 0.81 ATG4B (0.53) CDK2CDK5CCNE1ALDH1A1ATG4B
SCHEMBL6282475 0.81 CDK5 (0.52) CDK2CDK5CCNE1ALDH1A1TRPV1
SCHEMBL6278436 0.81 CDK2 (0.52) CDK2CDK5CCNE1ALDH1A1ATG4B
SCHEMBL6279197 0.80 CCNE1 (0.57) CDK2CDK5CCNE1ALDH1A1MEN1
SCHEMBL6282609 0.79 ROCK2 (0.52) CDK2CDK5CCNE1ALDH1A1KMT2A
SCHEMBL6286757 0.79 ROCK2 (0.52) CDK2CDK5CCNE1ALDH1A1KMT2A

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 CDK2 3/4885CDK5 129/4885CCNE1 83/4885
US-20040157827-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 CDK2 3/4885CDK5 129/4885CCNE1 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.