SCHEMBL6434814

SCHEMBL6434814

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CDK5 Q00535 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK5R1 Q15078 1/20 0.43
P2RY2 P41231 1/20 0.40
CCNK O75909 2/20 0.39
DDB1 Q16531 2/20 0.39
CDK12 Q9NYV4 2/20 0.39

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
SCHEMBL5487988 0.88 CCNE1 (0.45) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481490 0.86 CCNE1 (0.51) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5490522 0.84 CCNE1 (0.46) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484166 0.82 CCNE1 (0.47) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481063 0.78 CCNE1 (0.53) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5477878 0.78 CCNE1 (0.53) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481330 0.77 CCNE1 (0.52) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5483023 0.77 CCNE1 (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481136 0.77 CCNE1 (0.56) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5478300 0.76 CDK2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 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.