SCHEMBL5726342

SCHEMBL5726342

CC(C)c1cnc(NC(=O)[C@@H](C)c2ccc(NC(=O)c3ccccn3)cc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.71
CCNE1 P24864 6/20 0.55
CDK5 Q00535 6/20 0.55
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
PKM P14618 3/20 0.51
ALDH1A1 P00352 3/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK5R1 Q15078 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
SCHEMBL5726641 1.00 CDK2 (0.71) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5726781 1.00 CDK2 (0.71) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5726439 0.84 CDK2 (0.72) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5727149 0.84 CDK2 (0.72) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5726414 0.84 CDK2 (0.72) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5726044 0.83 CDK2 (0.68) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5726620 0.83 CDK2 (0.68) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5725824 0.83 CDK2 (0.68) CDK2CCNE1CDK5NPC1RAB9A
SCHEMBL5725799 0.83 CDK2 (1.00) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726796 0.83 CDK2 (0.82) CDK2CCNE1CDK5ALDH1A1SMN1; 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
CN-1286835-C Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2006-11-29 CN claimed
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
CN-1531535-A Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents 2004-09-22 CN claimed
CN-1286835-C Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2006-11-29 CN disclosed
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
CN-1531535-A Phenylacetamido-thiazole derivatives, process for their preparation and their use as antitumor agents 2004-09-22 CN 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.