SCHEMBL5481490

SCHEMBL5481490

CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)OC(C)(C)C)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.51
CDK2 P24941 5/20 0.51
CDK5 Q00535 5/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
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
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
CDK5R1 Q15078 1/20 0.51
HPGD P15428 1/20 0.45
CCNK O75909 2/20 0.45
DDB1 Q16531 2/20 0.45
CDK12 Q9NYV4 2/20 0.45

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
SCHEMBL5484166 0.92 CCNE1 (0.47) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5490522 0.91 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5487988 0.89 CCNE1 (0.45) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5483023 0.86 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL6434814 0.86 CCNE1 (0.43) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484301 0.85 CDK2 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481901 0.85 CCNE1 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484280 0.84 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5478254 0.84 CDK2 (0.66) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480227 0.84 CCNE1 (0.56) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP disclosed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US disclosed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US disclosed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP disclosed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO disclosed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 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 (1 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-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents CCAR2, BCL2, ROS1 CCNE1 513/4885CDK2 26/4885CDK5 99/4885

“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.