SCHEMBL5216255

SCHEMBL5216255

CC(=O)Nc1ncc(C(C)=S)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.46
CDK2 P24941 10/20 0.46
CDK4 P11802 4/20 0.46
CDK1 P06493 3/20 0.46
CDK5 Q00535 1/20 0.46
CCNE2 O96020 8/20 0.43
CCND1 P24385 3/20 0.43
CCNB2 O95067 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CG P48736 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4522999 0.85 CCNE1 (0.59) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL186141 0.84 HCAR2 (0.53) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL2370795 0.81 FFAR2 (0.53) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL13543136 0.79 SMN1; SMN2 (0.60) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL4523132 0.78 CCNE1 (0.46) CCNE1CDK2CDK4CDK1CDK5
Acetic Acid SCHEMBL2691786 0.77 CCNE1 (0.45) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL16113496 0.76 CCNE1 (0.60) CCNE1CDK2CDK4CDK1CDK5
SCHEMBL2175131 0.76 RAB9A (0.60) CCNE1CDK2CDK4CDK1RAB9A
SCHEMBL966406 0.74 ALOX15 (0.53) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL1350381 0.74 CCNE1 (0.48) CCNE1CDK2CDK4CDK1CCNE2

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-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP disclosed
US-6521759-B2 Anticancer, antiarthritic, and antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
EP-1042307-A4 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2003-01-29 EP disclosed
US-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases KIM KYOUNG S (US) 2002-09-26 US disclosed
EP-1240153-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2002-09-18 EP disclosed
US-6262096-B1 IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 US disclosed
WO-2001044217-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1042307-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP disclosed
US-6040321-A ENZYME INHIBITOR TREATING CANCER, INFLAMMATION AND ARTHRITIS, NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, CARDIOVASCULAR DISEASES, VIRAL DISEASES AND FUNGAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-21 US disclosed
WO-1999024416-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 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-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CCNE1 5/4885CDK2 6/4885CDK4 16/4885

“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.