SCHEMBL6284863

SCHEMBL6284863

CC(C)c1cnc(NC(=O)N2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.60
CDK2 P24941 6/20 0.60
CDK5 Q00535 6/20 0.60
ALDH1A1 P00352 2/20 0.60
CCNT1 O60563 1/20 0.60
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CCND1 P24385 1/20 0.60
CDK7 P50613 1/20 0.60
CDK9 P50750 1/20 0.60
CCNH P51946 1/20 0.60
MNAT1 P51948 1/20 0.60
CDK5R1 Q15078 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
FAAH O00519 9/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 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
SCHEMBL6282734 0.80 CDK2 (0.61) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL27570633 0.80 CDK2 (0.61) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5477877 0.77 ALDH1A1 (0.58) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL6286715 0.77 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL6288021 0.76 RAB9A (0.58) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL6286647 0.76 CDK2 (0.58) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL12655775 0.75 KDM4E (0.65) ALDH1A1SMN1; SMN2FAAHMAPTKDM4E
SCHEMBL6288010 0.73 CDK2 (0.69) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL5836598 0.73 CCNE1 (0.77) CCNE1CDK2CDK5ALDH1A1CCNT1
SCHEMBL6287931 0.73 KMT2A (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1325390-A 2-ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325390-A 2-ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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.