SCHEMBL6317653

SCHEMBL6317653

O=C(CCl)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.50
WNT3A P56704 4/20 0.50
P2RX7 Q99572 1/20 0.48
GSK3B P49841 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL4550609 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7GSK3BKMT2A
SCHEMBL8744790 0.75 P2RX7 (0.54) CTNNB1WNT3AP2RX7ALDH1A1SMN1; SMN2
SCHEMBL882968 0.75 CTNNB1 (0.50) CTNNB1WNT3AP2RX7ALDH1A1SMN1; SMN2
SCHEMBL26743677 0.75 APLNR (0.37) GSK3BALDH1A1TRPA1MAPK1HIF1A
Hydrochloric Acid SCHEMBL2819700 0.73 P2RX7 (0.52) CTNNB1WNT3AP2RX7ALDH1A1SMN1; SMN2
Bromide SCHEMBL27039764 0.73 CTNNB1 (0.48) CTNNB1WNT3AP2RX7GSK3BALDH1A1
SCHEMBL17820367 0.73 ALOX15 (0.44) GSK3BALDH1A1TRPA1MAPK1HIF1A
SCHEMBL208041 0.73 CES2 (0.59) CTNNB1WNT3AGSK3BALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8564384 0.72 CES2 (0.57) CTNNB1WNT3AGSK3BALDH1A1SMN1; SMN2
SCHEMBL5159948 0.71 P2RX7 (0.61) CTNNB1WNT3AP2RX7ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 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-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 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-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 (4 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 CTNNB1 4812/4885WNT3A 3890/4885P2RX7 1127/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 CTNNB1 4702/4885WNT3A 3544/4885P2RX7 3871/4885
US-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 CTNNB1 4726/4885WNT3A 4245/4885P2RX7 4348/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 CTNNB1 4819/4885WNT3A 4159/4885P2RX7 4181/4885

“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.