SCHEMBL2844180

SCHEMBL2844180

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CTSL P07711 1/20 0.31
DRD2 P14416 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
ALDH1A1 P00352 2/20 0.31
STING1 Q86WV6 1/20 0.31
GAA P10253 1/20 0.31
PDPK1 O15530 1/20 0.31
HPGDS O60760 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
SSTR4 P31391 1/20 0.31
CCR1 P32246 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23874343 0.83 SSTR4 (0.36) AAK1PDPK1SSTR4CCR1
SCHEMBL30218239 0.83 SSTR4 (0.36) AAK1PDPK1SSTR4CCR1
SCHEMBL17467122 0.82 BACE1 (0.37) MTNR1AMTNR1BAAK1KDM4ECTSL
SCHEMBL2848178 0.81 KDM4E (0.36) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL3111363 0.78 KDM4E (0.38) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL3112360 0.78 KDM4E (0.51) KDM4EALDH1A1L3MBTL1
SCHEMBL3128187 0.78 KDM4E (0.35) MTNR1AMTNR1BKDM4ESTING1L3MBTL1
SCHEMBL2847646 0.77 KDM4E (0.34) MTNR1AMTNR1BKDM4EALDH1A1GAA
SCHEMBL30020275 0.75 HTT (0.32) MTNR1AMTNR1BAAK1
SCHEMBL8226698 0.74 MTNR1A (0.35) MTNR1AMTNR1BAAK1KDM4ECTSL

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 4 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-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 MTNR1A 2008/4885MTNR1B 1661/4885AAK1 1061/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A MTNR1A 1764/4885MTNR1B 1284/4885AAK1 1597/4885

“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.