SCHEMBL6282691

SCHEMBL6282691

O=C(Nc1cc2ccccc2s1)Nc1ncc(C2CC2)s1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 16/20 0.58
CDK2 P24941 16/20 0.58
CDK5 Q00535 16/20 0.58
CDK5R1 Q15078 1/20 0.47
TMIGD3 P0DMS9 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL6286973 0.81 CCNE1 (0.49) CCNE1CDK2CDK5
SCHEMBL6279222 0.80 CNR1 (0.58) CCNE1CDK2CDK5
SCHEMBL6282625 0.79 CDK2 (0.64) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL6281751 0.78 CDK2 (0.90) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL6288008 0.75 CCNE1 (0.63) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL6287954 0.75 CCNE1 (0.63) CCNE1CDK2CDK5CDK5R1ADORA2A
SCHEMBL6282656 0.74 CCNE1 (0.62) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL5782078 0.74 CDK2 (1.00) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL6285536 0.73 CCNE1 (0.67) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL6282688 0.73 CCNE1 (0.67) CCNE1CDK2CDK5CDK5R1SMN1; SMN2

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.