SCHEMBL10193671

SCHEMBL10193671

CC(C)(C)OC(=O)NCc1ccc(Nc2ncc(SC#N)s2)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.42
▸ CCNE2 O96020 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ NTRK1 P04629 8/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ GLS O94925 2/20 0.36
▸ IGF1R P08069 1/20 0.36

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
SCHEMBL3325437 0.85 NTRK1 (0.42) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2065714 0.83 JAK3 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2065687 0.78 CCNE1 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2065120 0.78 CCNB2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2067527 0.78 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2065789 0.77 CCNB2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2066536 0.77 JAK3 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL10193645 0.77 KDM4E (0.45) L3MBTL1NAMPTHDAC1DYRK1A
SCHEMBL14046742 0.76 MYC (0.43) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL8193113 0.73 L3MBTL1 (0.53) L3MBTL1NAMPTHDAC1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
CN-101652363-A Thiazolyl compounds as kinase inhibitor SQUIBB BRISTOL MYERS CO US 2010-02-17 — — CN disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — 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 (2 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-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC CCNB2 1849/4885CCNE2 3014/4885CDK1 125/4885
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 CCNB2 1799/4885CCNE2 3079/4885CDK1 117/4885

“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.

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