SCHEMBL6284708

SCHEMBL6284708

CN(C)CC(O)c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM2 P08172 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
AOC3 Q16853 1/20 0.34
DNM1 Q05193 2/20 0.33

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
SCHEMBL6284707 0.83 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL6323436 0.83 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL6281159 0.80 HPGD (0.40) TSHRCYP2C19ALDH1A1CYP3A4KDM4E
SCHEMBL6282491 0.76 TSHR (0.68) TSHRHIF1ASLC6A2SLC6A4SLC6A3
SCHEMBL1205713 0.76 TSHR (0.68) TSHRHIF1ASLC6A2SLC6A4SLC6A3
SCHEMBL18115388 0.75 LMNA (0.44) TSHRALDH1A1KDM4ELMNACYP2D6
SCHEMBL8924736 0.74 TSHR (0.39) TSHRHIF1ASLC6A2SLC6A4SLC6A3
SCHEMBL12479150 0.71 ADORA2A (0.37) TSHRALDH1A1KDM4ELMNAAOC3
SCHEMBL27514366 0.70 CYP2D6 (0.32) KDM4ECYP2D6
SCHEMBL6320686 0.70 HDAC8 (0.33) KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US claimed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US 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-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 TSHR 3637/4885HIF1A 1232/4885SLC6A2 4331/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 TSHR 3688/4885HIF1A 1264/4885SLC6A2 1762/4885

“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.