SCHEMBL1947459

SCHEMBL1947459

CC(C)(C)OC(=O)Nc1ccc2c(N)noc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
MAP4K4 O95819 1/20 0.49
F9 P00740 3/20 0.46
MAPKAPK2 P49137 3/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
PSMB8 P28062 1/20 0.42
JAK2 O60674 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC10 Q969S8 2/20 0.41
CYP17A1 P05093 1/20 0.41
CHRM1 P11229 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL22130230 0.90 MAP4K4 (0.52) CA12CA1CA9MAP4K4MAPKAPK2
SCHEMBL9212282 0.87 F9 (0.45) F9KITKDRAURKBMAPK14
SCHEMBL17307563 0.86 CA12 (0.60) CA12CA1CA9MAP4K4HDAC1
SCHEMBL7902665 0.81 CA12 (0.50) CA12CA1CA9F9MAPK14
SCHEMBL25054189 0.79 GRM2 (0.47) CA1HDAC1HDAC6AURKB
SCHEMBL30386922 0.79 GRM2 (0.47) CA1HDAC1HDAC6AURKB
SCHEMBL23140435 0.79 KIT (0.44) CA12CA1CA9MAP4K4MAPKAPK2
SCHEMBL22424061 0.79 CA12 (0.49) CA12CA1CA9MAP4K4HDAC1
SCHEMBL23140407 0.79 MAP4K4 (0.46) CA12CA1CA9MAP4K4MAPKAPK2
SCHEMBL17307569 0.78 CA12 (0.54) CA12CA1CA9MAP4K4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CA12 3156/4885CA1 3212/4885CA9 624/4885

“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.