SCHEMBL6287725

SCHEMBL6287725

CC(C)c1cnc(NC(=O)Nc2cccc([N+](=O)[O-])c2)s1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.67
CDK2 P24941 1/20 0.67
CDK5 Q00535 1/20 0.67
KMT2A Q03164 10/20 0.60
MEN1 O00255 8/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 5/20 0.60
DDX3X O00571 2/20 0.60
POLB P06746 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
BAZ1A Q9NRL2 4/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.52
GAA P10253 2/20 0.52

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
SCHEMBL6287986 0.86 CDK2 (0.69) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL5835598 0.83 KMT2A (0.71) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6286786 0.83 BAZ1A (0.65) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6278567 0.83 KMT2A (0.64) KMT2AMEN1MAPTHTTDDX3X
SCHEMBL5837403 0.83 ALDH1A1 (0.68) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6279171 0.82 CDK2 (0.74) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6282898 0.82 CDK2 (0.74) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6287941 0.82 CDK2 (0.74) CCNE1CDK2CDK5MAPTPOLB
SCHEMBL6282772 0.81 CDK2 (0.73) CCNE1CDK2CDK5KMT2AMEN1
SCHEMBL6282616 0.81 CDK2 (0.73) CCNE1CDK2CDK5KMT2AMEN1

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.