SCHEMBL2847646

SCHEMBL2847646

COc1ccc(C=O)nc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
TERT O14746 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 5/20 0.32
AOX1 Q06278 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 2/20 0.31
CCR1 P32246 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
ERN1 O75460 1/20 0.31
MT-CO2 P00403 1/20 0.30

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
SCHEMBL2848178 0.82 KDM4E (0.36) KDM4EMTNR1AMTNR1BALDH1A1POLB
SCHEMBL2009130 0.82 ATR (0.38) KDM4EALDH1A1POLBGAAL3MBTL1
SCHEMBL17467122 0.81 BACE1 (0.37) KDM4EMTNR1AMTNR1BALDH1A1GAA
SCHEMBL3111363 0.80 KDM4E (0.38) KDM4EMTNR1AMTNR1BALDH1A1GAA
SCHEMBL3112360 0.80 KDM4E (0.51) KDM4EALDH1A1L3MBTL1
SCHEMBL2844180 0.77 MTNR1A (0.34) KDM4EMTNR1AMTNR1BALDH1A1POLB
SCHEMBL3128187 0.76 KDM4E (0.35) KDM4EMTNR1AMTNR1BL3MBTL1TSHR
SCHEMBL13303880 0.75 KDM4E (0.35) KDM4EMTNR1AMTNR1BALDH1A1GAA
SCHEMBL13322101 0.74 DGAT1 (0.36) KDM4EMTNR1AMTNR1BALDH1A1GAA
SCHEMBL25277649 0.74 NPSR1 (0.34) ALDH1A1LMNA

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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A KDM4E 1383/4885TERT 3074/4885MTNR1A 2008/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A KDM4E 811/4885TERT 2729/4885MTNR1A 1764/4885

“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.