SCHEMBL6285945

SCHEMBL6285945

CC(C)c1cnc(NC(=O)NCc2ccccn2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.62
CDK2 P24941 6/20 0.62
CDK5 Q00535 6/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK5R1 Q15078 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALOX15 P16050 1/20 0.54

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
SCHEMBL6288010 0.85 CDK2 (0.69) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6283555 0.81 ATG4B (0.62) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6287030 0.81 CDK2 (0.70) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6285664 0.81 CCNE1 (0.62) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6286739 0.81 ATG4B (0.64) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6327789 0.80 CDK2 (0.57) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6279197 0.79 CCNE1 (0.57) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6286149 0.79 CCNE1 (0.54) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL6288119 0.79 CCNE1 (0.56) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL6285422 0.78 ATG4B (0.63) CCNE1CDK2CDK5NPC1RAB9A

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