SCHEMBL1438243

SCHEMBL1438243

CC(C)(C)OC(=O)Nc1ncnc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.54
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ PTPN5 P54829 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ ALK Q9UM73 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ HTT P42858 2/20 0.43

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
SCHEMBL1438274 0.81 EGFR (0.66) EGFRMEN1POLBKMT2ANPC1
SCHEMBL1438275 0.81 EGFR (0.66) EGFRMEN1POLBKMT2ANPC1
SCHEMBL1438403 0.81 MAP4K4 (0.52) EGFRPRMT1MAP4K4
SCHEMBL8363843 0.77 MAPT (0.42) MEN1POLBKMT2ANPC1PRMT1
SCHEMBL15087024 0.76 XDH (0.55) MEN1POLBKMT2ANPC1MAPT
SCHEMBL15086952 0.75 PIP4K2A (0.43) NPC1PRMT1MAPTALDH1A1MAPK1
SCHEMBL15086955 0.75 RAB9A (0.49) MEN1POLBKMT2ANPC1MAPT
SCHEMBL15081339 0.74 CDK2 (0.58) MEN1POLBKMT2ANPC1MAPT
SCHEMBL1950048 0.74 BRD4 (0.46) POLBKMT2ANPC1MAPTALDH1A1
SCHEMBL25395515 0.74 MAPT (0.48) EGFRMEN1POLBKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 — — EP disclosed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 — — EP 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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 — — EP disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 — — EP disclosed
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 — — 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
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 EGFR 2213/4885MEN1 348/4885POLB 1979/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 EGFR 2213/4885MEN1 348/4885POLB 1979/4885

“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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