SCHEMBL6281583

SCHEMBL6281583

CNCC(O)c1ccc(C#N)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HIF1A Q16665 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
BLM P54132 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 2/20 0.40
THPO P40225 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NMUR2 Q9GZQ4 1/20 0.40
CYP2C9 P11712 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ADRA2A P08913 7/20 0.37
ADRA2B P18089 7/20 0.37
ADRA2C P18825 7/20 0.37
ADRB1 P08588 5/20 0.37
ADRB2 P07550 4/20 0.37
ADRB3 P13945 4/20 0.37
ADRA1A P35348 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5248072 0.79 DPP4 (0.36)
SCHEMBL20787584 0.77
SCHEMBL6287397 0.77 TRPA1 (0.30)
SCHEMBL6281290 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6SLC6A3SLC6A2
SCHEMBL4094054 0.74 PGR (0.31)
SCHEMBL4828130 0.74 PGR (0.31)
SCHEMBL19143810 0.74 KDM1A (0.30)
SCHEMBL6281286 0.74 AOC3 (0.30)
SCHEMBL9823614 0.72
SCHEMBL9823694 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP claimed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO claimed
US-20050133763-A1 Phenylcyclohexanes and a liquid-crystalline medium WACHTLER ANDREAS (DE) 2005-06-23 US disclosed
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-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 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
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP 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-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO 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 (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-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 KDM4E 1145/4885HIF1A 3740/4885TDP1 1002/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 KDM4E 42/4885HIF1A 1232/4885TDP1 1612/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 KDM4E 1156/4885HIF1A 1264/4885TDP1 704/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 KDM4E 1593/4885HIF1A 1529/4885TDP1 396/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 KDM4E 775/4885HIF1A 2960/4885TDP1 1950/4885

“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.