SCHEMBL6281036

SCHEMBL6281036

CNCC(O)c1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.60
HIF1A Q16665 4/20 0.60
MAOB P27338 1/20 0.46
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
KCNH2 Q12809 4/20 0.44
CYP3A4 P08684 2/20 0.44
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRA2A P08913 2/20 0.42
ADRB3 P13945 2/20 0.42
TSHR P16473 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
DRD1 P21728 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
DRD3 P35462 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL6610233 1.00 CYP2D6 (0.60) CYP2D6HIF1AMAOBSLC6A3SLC6A2
SCHEMBL6608279 1.00 CYP2D6 (0.60) CYP2D6HIF1AMAOBSLC6A3SLC6A2
SCHEMBL9641544 0.83 HIF1A (0.56) CYP2D6HIF1AMAOBCYP3A4ADRB2
SCHEMBL24173635 0.81 CYP2D6 (0.60) CYP2D6HIF1AMAOBRAB9ATAS1R3
SCHEMBL29172969 0.81 CYP2D6 (0.60) CYP2D6HIF1AMAOBRAB9ATAS1R3
SCHEMBL11077634 0.78 CYP2D6 (0.51) CYP2D6HIF1ASLC6A3SLC6A2SLC6A4
SCHEMBL6610235 0.77 CYP2D6 (0.56) CYP2D6HIF1AMAOBTSHRRAB9A
SCHEMBL8158785 0.77 CYP2D6 (0.56) CYP2D6HIF1AMAOBTSHRRAB9A
SCHEMBL6622018 0.77 CYP2D6 (0.56) CYP2D6HIF1AMAOBTSHRRAB9A
SCHEMBL6612005 0.77 CYP2D6 (0.56) CYP2D6HIF1AMAOBTSHRRAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP claimed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO claimed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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 (3 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-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 CYP2D6 194/4885HIF1A 3740/4885MAOB 1197/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 CYP2D6 692/4885HIF1A 1232/4885MAOB 3232/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 CYP2D6 1952/4885HIF1A 2960/4885MAOB 1311/4885

“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.