SCHEMBL17079796

SCHEMBL17079796

COc1cncc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
BUB1 O43683 1/20 0.37
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL29830789 0.82 BUB1 (0.38) GPR119BUB1PIM1MARK3MAP4K2
SCHEMBL18475876 0.82 GABRG2 (0.39) GPR119BUB1PIM1MARK3MAP4K2
SCHEMBL2127172 0.82 BUB1 (0.38) GPR119BUB1PIM1MARK3MAP4K2
SCHEMBL29830865 0.81 BUB1 (0.37) GPR119BUB1PIM1MARK3MAP4K2
SCHEMBL19662188 0.81 BUB1 (0.37) GPR119BUB1PIM1MARK3MAP4K2
SCHEMBL29992759 0.81 FABP4 (0.46) GPR119BUB1L3MBTL1BCHEHTR6
SCHEMBL8211914 0.81 FABP4 (0.46) GPR119BUB1L3MBTL1BCHEHTR6
SCHEMBL25338441 0.77 BUB1 (0.36) BUB1L3MBTL1BCHEHSP90AA1HSP90AB1
SCHEMBL3902857 0.77 L3MBTL1 (0.40) BUB1L3MBTL1BCHEPIK3CDABL1
SCHEMBL18442918 0.76 CYP11B2 (0.43) GPR119BUB1PIM1MARK3MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116506-B1 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
US-9775839-B2 2-pyrazine carboxamides as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-20170071935-A1 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
EP-3116506-A1 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-18 EP disclosed
WO-2015138273-A1 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 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-20170071935-A1 2-PYRAZINE CARBOXAMIDES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK GPR119 842/4885BUB1 1712/4885PIM1 185/4885

“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.