SCHEMBL4857310

SCHEMBL4857310

O=C(O)c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.56
KDM4E B2RXH2 3/20 0.45
KDM5A P29375 1/20 0.45
JMJD1C Q15652 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGDS O60760 1/20 0.43
MCL1 Q07820 1/20 0.43
P2RX3 P56373 4/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
PIK3CA P42336 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL4850980 0.87 MAPK8 (0.50) MAPK8TSHRTDP1HPGDSP2RX3
SCHEMBL17591033 0.85 P2RX3 (0.55) MAPK8KDM4EKDM5AJMJD1CKDM3A
SCHEMBL29826782 0.85 P2RX3 (0.55) MAPK8KDM4EKDM5AJMJD1CKDM3A
SCHEMBL8456373 0.84 MAPK8 (0.48) MAPK8LMNATDP1LOXL2PIK3CA
SCHEMBL4859054 0.84 TDP1 (0.51) MAPK8KDM4ETDP1HPGDSP2RX3
SCHEMBL8721822 0.80 MAPT (0.50) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7206668 0.78 MAPT (0.44) MAPK8L3MBTL1TSHRMCL1LOXL2
SCHEMBL24922618 0.77 ESR1 (0.41) MAPK8KDM4EKDM5AJMJD1CKDM3A
SCHEMBL2015751 0.77 LMNA (0.53) KDM4EKDM5AJMJD1CKDM3ALMNA
SCHEMBL14747021 0.76 MAPK8 (0.42) MAPK8KDM4ELMNAHPGDSLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7368455-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
US-7326714-B2 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY (US) 2008-02-05 US disclosed
EP-1427728-B1 6,7-DIHYDRO-5H-PYRAZOLO 1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY cYTOKINES PROCTER & GAMBLE (US) 2007-03-07 EP disclosed
US-7087615-B2 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY (US) 2006-08-08 US disclosed
EP-1427732-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO 1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-06-16 EP disclosed
US-20040087639-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia THE PROCTER & GAMBLE COMPANY 2004-05-06 US disclosed
US-6730668-B2 PREVENTING EXTRACELLULAR RELEASE THE PROCTER & GAMBLE COMPANY 2004-05-04 US disclosed
WO-2004026878-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-a]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-04-01 WO disclosed
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2004-03-25 US disclosed
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-07-17 US disclosed
US-6566357-B1 To inhibit the extracellular release of inflammatory cytokines; therapy THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
WO-2003024973-A1 SPIROCYCLIC-6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 WO disclosed
WO-2003024971-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2003-03-27 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 (5 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-20040087639-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which provide analgesia OPRK1, OPRD1, IL1B MAPK8 1862/4885KDM4E 3622/4885KDM5A 3072/4885
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 MAPK8 1960/4885KDM4E 3537/4885KDM5A 2760/4885
US-20040058944-A1 6,7-Dihydro-5H-pyrazolo[1,2a]pyrazol-1-ones whinch control inflammatory cytokines IL6, IL1A, IL1B MAPK8 677/4885KDM4E 4469/4885KDM5A 3471/4885
US-20030134867-A1 6,7-Dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL6, IL1A MAPK8 1333/4885KDM4E 3660/4885KDM5A 3278/4885
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 MAPK8 117/4885KDM4E 4473/4885KDM5A 4541/4885

“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.