SCHEMBL5726657

SCHEMBL5726657

CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)c3ccccn3)cc2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.70
CCNE1 P24864 11/20 0.70
CDK5 Q00535 11/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 2/20 0.70
CCNT1 O60563 1/20 0.70
CDK1 P06493 1/20 0.70
CDK4 P11802 1/20 0.70
CCNB1 P14635 1/20 0.70
CCNA2 P20248 1/20 0.70
CCND1 P24385 1/20 0.70
CDK7 P50613 1/20 0.70
CDK9 P50750 1/20 0.70
CCNH P51946 1/20 0.70
MNAT1 P51948 1/20 0.70
CDK5R1 Q15078 1/20 0.70
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
PKM P14618 3/20 0.50
WNT3A P56704 1/20 0.48

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
SCHEMBL5476972 0.87 CDK2 (0.88) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL31207080 0.86 RAB9A (0.70) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5480080 0.84 SMN1; SMN2 (0.62) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5726612 0.84 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5481269 0.84 CCNE1 (0.64) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5480558 0.83 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL1535301 0.83 CCNE1 (1.00) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL31206994 0.83 CCNE1 (0.73) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5726471 0.82 CDK2 (0.72) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5726464 0.82 CDK2 (0.72) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1

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-1406899-B1 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-11-15 EP claimed
US-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 US claimed
EP-1406899-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-04-14 EP claimed
WO-2003008365-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-01-30 WO claimed
EP-1724270-A2 Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents Pfizer Italia S.r.l. (IT) 2006-11-22 EP disclosed
EP-1406899-B1 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2006-11-15 EP disclosed
US-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 US disclosed
EP-1406899-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003008365-A2 PHENYLACETAMIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-01-30 WO 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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A CDK2 1/4885CCNE1 6/4885CDK5 55/4885

“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.