SCHEMBL519029

SCHEMBL519029

OB(O)c1ccnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ CYP2C9 P11712 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C18 P33260 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ NR3C2 P08235 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34

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
SCHEMBL15638722 0.81 OXTR (0.38) KDM4ENR3C2
SCHEMBL15638493 0.81 ALDH1A1 (0.41) CYP2C9CYP2C19CYP2C18LMNACYP3A4
SCHEMBL2557804 0.74 MAPT (0.44) POLBKDM4ELMNATDP1ALDH1A1
SCHEMBL5579308 0.72 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL7006506 0.69 CYP2C9 (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL8674209 0.68 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL17227421 0.68 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL255499 0.68 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL7082394 0.68 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18
SCHEMBL5318677 0.68 POLB (0.57) POLBCYP2C9KDM4ECYP2C19CYP2C18

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084981-A1 Bromodomain Inhibitors ABBVIE INC (US) 2019-03-21 — — US disclosed
US-10131657-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-11-20 — — US disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 — — US disclosed
EP-2903980-B1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 — — EP disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 — — US disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 — — US disclosed
EP-2602255-B1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-26 — — EP disclosed
CN-104703981-B As the benzimidazoles compound of CNS activity medicament 霍夫曼-拉罗奇有限公司 2017-03-29 — — CN disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 — — US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 — — US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 — — US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 — — US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 — — US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 — — US disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 — — EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 — — WO disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 — — WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 — — US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 — — US 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 (8 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B POLB 1658/4885CYP2C9 630/4885KDM4E 1514/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B POLB 1658/4885CYP2C9 630/4885KDM4E 1514/4885
US-20190084981-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 POLB 1896/4885CYP2C9 3955/4885KDM4E 749/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B POLB 1356/4885CYP2C9 637/4885KDM4E 1652/4885
US-10131657-B2 Bromodomain inhibitors BRD1, BRD4, BRD3 POLB 1800/4885CYP2C9 3812/4885KDM4E 834/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B POLB 1658/4885CYP2C9 630/4885KDM4E 1514/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B POLB 1658/4885CYP2C9 630/4885KDM4E 1514/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B POLB 1587/4885CYP2C9 569/4885KDM4E 1502/4885

“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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