SCHEMBL6288092

SCHEMBL6288092

COc1ccc(NC(=O)Nc2ncc(C3CC3)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.64
CDK2 P24941 3/20 0.64
CDK5 Q00535 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 2/20 0.56
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
MAPT P10636 10/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 1/20 0.53
MMP3 P08254 1/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 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
SCHEMBL5782939 0.95 CCNE1 (0.72) CCNE1CDK2CDK5SMN1; SMN2LMNA
SCHEMBL6287288 0.86 CCNE1 (0.62) CCNE1CDK2CDK5SMN1; SMN2TP53
SCHEMBL6286065 0.84 CCNE1 (0.70) CCNE1CDK2CDK5SMN1; SMN2LMNA
SCHEMBL6286722 0.83 CCNE1 (0.68) CCNE1CDK2CDK5SMN1; SMN2LMNA
SCHEMBL6282353 0.83 CCNE1 (0.68) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL6281751 0.83 CDK2 (0.90) CCNE1CDK2CDK5SMN1; SMN2LMNA
SCHEMBL6287998 0.82 CCNE1 (0.70) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL6278432 0.81 SMN1; SMN2 (0.60) SMN1; SMN2LMNATP53TSHRRAB9A
SCHEMBL6286080 0.79 CCNE1 (0.62) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL6283947 0.79 CCNE1 (0.62) CCNE1CDK2CDK5SMN1; SMN2LMNA

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.