SCHEMBL6286722

SCHEMBL6286722

Nc1ccc(NC(=O)Nc2ncc(C3CC3)s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 12/20 0.68
CDK2 P24941 12/20 0.68
CDK5 Q00535 12/20 0.68
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CDK5R1 Q15078 1/20 0.46
EPHX1 P07099 1/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL6286065 0.88 CCNE1 (0.70) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL6282353 0.86 CCNE1 (0.68) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL6281751 0.86 CDK2 (0.90) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL6285536 0.86 CCNE1 (0.67) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL6287998 0.85 CCNE1 (0.70) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL6286080 0.85 CCNE1 (0.62) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL6288092 0.83 CCNE1 (0.64) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL27549855 0.82 SMN1; SMN2 (0.57) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL6283947 0.82 CCNE1 (0.62) CCNE1CDK2CDK5RAB9AMAPT
SCHEMBL5782078 0.81 CDK2 (1.00) CCNE1CDK2CDK5RAB9AMAPT

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.