SCHEMBL6282877

SCHEMBL6282877

CC(C)c1cnc(NC(=O)Nc2ccc3cc[nH]c3c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.60
CCNE1 P24864 7/20 0.60
CDK5 Q00535 7/20 0.60
MAOA P21397 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
CCNT1 O60563 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK5R1 Q15078 1/20 0.44
ESR1 P03372 4/20 0.43
PYGL P06737 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL6286071 0.91 CDK2 (0.60) CDK2CCNE1CDK5MAOASMN1; SMN2
SCHEMBL6286861 0.84 CDK2 (0.60) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835398 0.83 CDK2 (0.59) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6286656 0.80 CDK2 (0.60) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5779739 0.79 CCNE1 (0.67) CDK2CCNE1CDK5SMN1; SMN2CDK5R1
SCHEMBL6286119 0.78 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6279196 0.78 CDK2 (0.60) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL22803724 0.78 ESR1 (0.63) MAOAALDH1A1ESR1PYGLNOTUM
SCHEMBL6282655 0.77 CDK2 (0.78) CDK2CCNE1CDK5MAOASMN1; SMN2
SCHEMBL22803788 0.77 MAOA (0.54) MAOASMN1; SMN2ALDH1A1ESR1PYGL

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 4 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
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.