SCHEMBL706525

SCHEMBL706525

O=c1cnc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.53
RPS6KA3 P51812 1/20 0.53
CSNK2A1 P68400 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
ALDH1A1 P00352 2/20 0.47
PDE10A Q9Y233 2/20 0.40
CBFB Q13951 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
SMYD3 Q9H7B4 2/20 0.37
CYP11B2 P19099 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL9863411 0.85 MAPKAPK2 (0.56) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL29965007 0.85 RPS6KA3 (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL23977871 0.85 RPS6KA3 (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL29338767 0.81 MAPKAPK2 (0.44) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL30806374 0.80 ALDH1A1 (0.56) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL706811 0.77 MAPKAPK2 (0.64) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL706055 0.77 MAPKAPK2 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL31214307 0.76 RPS6KA3 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL2947345 0.76 MAPKAPK2 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL2948093 0.76 MAPKAPK2 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO claimed
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO disclosed
CN-109121397-A Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound 莱德克斯制药公共有限公司 2019-01-01 CN disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
EP-3060557-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT Bayer CropScience Aktiengesellschaft (DE) 2016-08-31 EP disclosed
CN-105873914-A Substituted quinoxaline derivatives as pest control agents 拜耳作物科学股份公司 2016-08-17 CN disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
EP-0520024-B1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-06-19 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0520024-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-30 EP disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5166155-A Neurological or psychiatric diseases NOVO NORDISK A/S (DK) 1992-11-24 US disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed
WO-1991013878-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-09-19 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 (1 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-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT CHRM1, CHRM2, ACHE MAPKAPK2 3424/4885RPS6KA3 648/4885CSNK2A1 3879/4885

“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.