SCHEMBL5791573

SCHEMBL5791573

C=CC(Sc1cnc(NC(C)=O)s1)c1ncco1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 17/20 0.44
CDK2 P24941 17/20 0.44
CCNE2 O96020 16/20 0.44
CDK4 P11802 10/20 0.43
CCND1 P24385 9/20 0.43
CDK1 P06493 8/20 0.43
CCNB2 O95067 7/20 0.43
CCNB1 P14635 7/20 0.43
CCNB3 Q8WWL7 7/20 0.43
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
TXK P42681 2/20 0.35
JAK3 P52333 2/20 0.35
BTK Q06187 2/20 0.35
LIMK1 P53667 1/20 0.35
ITK Q08881 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
SCHEMBL5789789 0.76 MYC (0.36) CDK2
SCHEMBL5791572 0.70 CCNE1 (0.55) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9096131 0.69 CCNE1 (0.61) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL5216840 0.66 CCNE1 (0.67) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4731424 0.66 CCNE1 (0.60) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL5789370 0.66
SCHEMBL9048641 0.65 CCNE1 (0.54) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL16731888 0.64 CCNE1 (0.68) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9048380 0.64 CCNE1 (0.56) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL27100482 0.64 CCNE1 (0.44) CCNE1CDK2CCNE2CDK4CCND1

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 10 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 disclosed
EP-1303514-B1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 EP disclosed
US-6897321-B2 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) BRISTON MYERS SQUIBB COMPANY (US) 2005-05-24 US disclosed
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CHEN BANG-CHI (US) 2004-04-01 US disclosed
US-6639074-B2 Reacting an alpha -substituted ketone with a cyclic alkylenetetramine in solvent(s) to form a quaternary ammonium salt; reacting with acid in solvent(s) form an alpha -amino ketone; reacting with acyl derivative; dehydrating BRISTOL MYERS SQUIBB COMPANY 2003-10-28 US disclosed
EP-1303514-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 EP disclosed
US-20020099217-A1 Process for preparing azacycloalkanoylaminothiazoles CHEN BANG-CHI (US) 2002-07-25 US disclosed
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 disclosed
WO-2002010163-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO disclosed
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-07-05 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 (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 CCNE1 31/4885CDK2 15/4885CCNE2 42/4885
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles CDK9, CDK4, CDK6 CCNE1 31/4885CDK2 15/4885CCNE2 42/4885
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CDK9, CDK4, CCNI CCNE1 9/4885CDK2 19/4885CCNE2 18/4885

“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.