SCHEMBL6282337

SCHEMBL6282337

CC(C)c1cnc(NC(=O)Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.62
CCNE1 P24864 6/20 0.62
CDK5 Q00535 6/20 0.62
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
MAPK1 P28482 1/20 0.57
NPC1 O15118 2/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
CCNT1 O60563 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK7 P50613 1/20 0.51

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
SCHEMBL5836292 0.82 CCNE1 (0.62) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6281756 0.82 CDK2 (0.70) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6281642 0.81 CDK2 (0.68) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6288089 0.81 CDK2 (0.68) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836025 0.80 ALDH1A1 (0.68) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6287986 0.79 CDK2 (0.69) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6288105 0.79 CDK2 (0.69) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6286038 0.79 SMN1; SMN2 (0.65) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835629 0.78 RAB9A (0.71) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6284074 0.77 CDK2 (1.00) CDK2CCNE1CDK5ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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