SCHEMBL12880992

SCHEMBL12880992

CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)c(Cl)c5)[nH]4)nc23)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CA P42336 3/20 0.34
PARP1 P09874 1/20 0.34
AVPR1B P47901 4/20 0.34
CYP3A4 P08684 4/20 0.33
AKT1 P31749 3/20 0.33
PIK3CG P48736 2/20 0.33
PPARG P37231 1/20 0.32
MTOR P42345 1/20 0.32
ADORA2B P29275 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
Hydrochloric Acid SCHEMBL1222280 0.99 P2RX7 (0.34) P2RX7PIK3CDPIK3CBPIK3CAPARP1
SCHEMBL12881000 0.96 PARP1 (0.35) P2RX7PIK3CDPIK3CBPIK3CAPARP1
Hydrochloric Acid SCHEMBL1222254 0.95 PARP1 (0.34) P2RX7PIK3CAPARP1CYP3A4PPARG
SCHEMBL15334698 0.94 PARP1 (0.34) P2RX7PARP1PPARG
SCHEMBL13512868 0.94 PARP1 (0.35) P2RX7PIK3CDPIK3CBPIK3CAPARP1
SCHEMBL1222176 0.92 CYP1A2 (0.35) PIK3CACYP3A4AKT1MTORMEN1
SCHEMBL12894427 0.90 P2RX7 (0.34) P2RX7PIK3CDPIK3CBPIK3CAPARP1
SCHEMBL1221133 0.88 P2RX7 (0.33) P2RX7PIK3CDPIK3CBPIK3CAPARP1
SCHEMBL1221366 0.86 PIK3CD (0.37) P2RX7PIK3CDPIK3CBPIK3CAPARP1
SCHEMBL12894430 0.85 TLR7 (0.33) P2RX7PARP1PPARGADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 P2RX7 1536/4885PIK3CD 2091/4885PIK3CB 2323/4885

“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.