SCHEMBL12143915

SCHEMBL12143915

CO/C=C/c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ GCK P35557 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL29636747 0.86 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL28579578 0.86 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL21375791 0.86 HDAC1 (0.41) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL479056 0.83 NAMPT (0.43) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL28849745 0.82 NAMPT (0.42) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL19398230 0.80 RAB9A (0.45) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL2307440 0.77 GSK3B (0.44) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL15701270 0.77 NAMPT (0.48) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL31737264 0.76 GSK3B (0.45) HDAC1NAMPTGRIN2BGSK3BDYRK1A
SCHEMBL8228538 0.76 DEGS1 (0.49) HDAC1NAMPTGRIN2BGSK3BDYRK1A

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-2300466-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 — — EP disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 — — US disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 — — US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 — — US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 — — US disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
WO-2009155389-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 — — WO disclosed
WO-2009155388-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 — — 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-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 HDAC1 639/4885NAMPT 1689/4885GRIN2B 1092/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 HDAC1 264/4885NAMPT 1222/4885GRIN2B 1539/4885

“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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