SCHEMBL5481776

SCHEMBL5481776

CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.61
CCNE1 P24864 6/20 0.61
CDK5 Q00535 6/20 0.61
ALDH1A1 P00352 4/20 0.61
CCNT1 O60563 1/20 0.61
CDK1 P06493 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCND1 P24385 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
MNAT1 P51948 1/20 0.61
CDK5R1 Q15078 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
GLS O94925 3/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MCL1 Q07820 2/20 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
SCHEMBL5484289 0.93 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5477005 0.91 CCNE1 (0.73) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5477822 0.89 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5726612 0.87 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835581 0.85 CDK2 (0.71) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5478304 0.84 CDK2 (0.59) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5835927 0.83 CDK2 (0.77) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5478261 0.82 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5481269 0.82 CCNE1 (0.64) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL5480558 0.82 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1CCNT1

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 CDK2 26/4885CCNE1 513/4885CDK5 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.