SCHEMBL5753532

SCHEMBL5753532

Nc1ncc(SCc2ncco2)s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.59
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
CCNE2 O96020 14/20 0.36
CCNE1 P24864 14/20 0.36
CDK4 P11802 10/20 0.36
CCND1 P24385 10/20 0.36
CDK1 P06493 10/20 0.36
CCNB1 P14635 10/20 0.36
CCNB2 O95067 9/20 0.36
CCNB3 Q8WWL7 9/20 0.36
CCND2 P30279 5/20 0.36
CCND3 P30281 5/20 0.36
CCNT1 O60563 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL6194745 0.75 MYC (0.41) CDK2MYCWDR5
SCHEMBL960172 0.75 CDK2 (1.00) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL6691895 0.73 CDK2 (0.68) CDK2MYCWDR5CCNE2CCNE1
SCHEMBL5789785 0.73 CDK2 (0.39) CDK2MYCWDR5
SCHEMBL5213810 0.72 CDK2 (0.67) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL14394720 0.72 CDK2 (0.67) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL20583097 0.71 CDK2 (0.48) CDK2MYCWDR5CCNE2CCNE1
SCHEMBL20583155 0.70 CDK2 (0.50) CDK2MYCWDR5CCNE2CCNE1
SCHEMBL956877 0.69 GRM4 (0.49) CDK2MYCWDR5
SCHEMBL14076535 0.69 CDK2 (0.62) CDK2CCNE2CCNE1CDK4CCND1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303514-B9 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2006-11-08 EP claimed
EP-1303514-B1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 EP claimed
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CHEN BANG-CHI (US) 2004-04-01 US claimed
EP-1303514-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 EP claimed
US-20020099217-A1 Process for preparing azacycloalkanoylaminothiazoles CHEN BANG-CHI (US) 2002-07-25 US claimed
US-6414156-B2 EFFICENT, NOTOXIC PROCESS OF MAKING NEW KEY INTERMEDIATE QUATERNARY AMMONIUM SALTS AND 2-OXAZOLYLALKYL SULFIDE DERIVATIVES AND AVOIDS THE REACTION OF A-HALOKETONES WITH AN AZIDE FOLLOWED BY REDUCING THE RESULTING A-AMINOKETONE BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US claimed
WO-2002010163-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO claimed
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-07-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020099217-A1 Process for preparing azacycloalkanoylaminothiazoles CDK9, CDK4, CDK6 CDK2 15/4885MYC 104/4885WDR5 2618/4885
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles CDK9, CDK4, CDK6 CDK2 15/4885MYC 104/4885WDR5 2618/4885
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CDK9, CDK4, CCNI CDK2 19/4885MYC 165/4885WDR5 2813/4885

“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.