SCHEMBL5481901

SCHEMBL5481901

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.57
CDK2 P24941 6/20 0.57
CDK5 Q00535 6/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CCNT1 O60563 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CCND1 P24385 1/20 0.57
CDK7 P50613 1/20 0.57
CDK9 P50750 1/20 0.57
CCNH P51946 1/20 0.57
MNAT1 P51948 1/20 0.57
CDK5R1 Q15078 1/20 0.57
CCNK O75909 2/20 0.50
DDB1 Q16531 2/20 0.50
CDK12 Q9NYV4 2/20 0.50
MEN1 O00255 1/20 0.47

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
SCHEMBL5477245 0.91 CCNE1 (0.55) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484301 0.91 CDK2 (0.57) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480227 0.90 CCNE1 (0.56) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481136 0.90 CCNE1 (0.56) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5478254 0.90 CDK2 (0.66) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5484395 0.90 CCNE1 (0.56) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481546 0.90 CCNE1 (0.59) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5477876 0.89 CCNE1 (0.53) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5481063 0.89 CCNE1 (0.53) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480803 0.89 CCNE1 (0.55) 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 12 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 claimed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US claimed
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 claimed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP claimed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO claimed
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 claimed
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 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.