SCHEMBL6196472

SCHEMBL6196472

C=CC(Sc1cnc(NC(=O)Cc2ccc(CBr)cc2)s1)c1ncc(C(C)(C)C)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.52
CDK2 P24941 14/20 0.52
CCNE2 O96020 13/20 0.52
CDK4 P11802 8/20 0.51
CCND1 P24385 8/20 0.51
CCNB2 O95067 6/20 0.51
CDK1 P06493 6/20 0.51
CCNB1 P14635 6/20 0.51
CCNB3 Q8WWL7 6/20 0.51
PRKCH P24723 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCD Q05655 1/20 0.51
ITK Q08881 1/20 0.51
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 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
SCHEMBL6196179 0.91 CDK2 (0.52) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL6198203 0.91 CCNE1 (0.51) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL6197756 0.86 CCNE1 (0.52) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL6196476 0.83 CDK2 (0.43) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL6222327 0.78 CCNE2 (0.82) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL7692356 0.77 CCNE1 (0.58) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL6196475 0.77 LMNA (0.42) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL3467838 0.73 HDAC3 (0.63) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4213621 0.73 HDAC3 (0.72) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL3478233 0.73 HDAC3 (0.62) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303512-B1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 EP disclosed
US-20030216440-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2003-11-20 US disclosed
US-6613911-B2 Reaction of haloarylacetic acids or esters with olefins to give vinylarylacetic acids or esters, oxidation with an oxidizing reagent gives formylarylacetic acids or esters BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
EP-1303512-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 EP disclosed
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2002-06-13 US disclosed
US-6392053-B2 INCLUDES REACTING HALOARYLACETIC ACIDS OR ESTERS WITH OLEFINS TO GIVEN VINYLACRYLACETIC ACIDS OR ESTERS, FOLLOWED BY OXIDATION TO FORM THE FORMYLARYLACETIC ACID INTERMEDIATE; CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-05-21 US disclosed
WO-2002010161-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO disclosed
US-20010004639-A1 Process for preparing arylacetylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-06-21 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-20030216440-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNT1, CCNA1 CCNE1 6/4885CDK2 5/4885CCNE2 23/4885
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CCNT1, CCNI, CCNA1 CCNE1 7/4885CDK2 6/4885CCNE2 26/4885
US-20010004639-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNA1, CCNT1 CCNE1 6/4885CDK2 5/4885CCNE2 21/4885

“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.