SCHEMBL6283947

SCHEMBL6283947

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncc(C2CC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.62
CDK2 P24941 3/20 0.62
CDK5 Q00535 3/20 0.62
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
MAPT P10636 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.51
EPHX1 P07099 1/20 0.50
PABPC1 P11940 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 2/20 0.49
NAMPT P43490 1/20 0.49
MYOC Q99972 1/20 0.49
XBP1 P17861 1/20 0.48

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
SCHEMBL6283917 0.86 CCNE1 (0.61) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6286065 0.83 CCNE1 (0.70) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6286722 0.82 CCNE1 (0.68) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6282353 0.82 CCNE1 (0.68) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6281751 0.82 CDK2 (0.90) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6282569 0.81 MEN1 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6287998 0.81 CCNE1 (0.70) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6286080 0.81 CCNE1 (0.62) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6288092 0.79 CCNE1 (0.64) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL6287986 0.78 CDK2 (0.69) CCNE1CDK2CDK5MEN1KMT2A

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.