SCHEMBL182950

SCHEMBL182950

COc1ccc(-c2ccc3ncnc(-c4ccc(N5CCNCC5)nc4)c3c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.60
IL2 P60568 3/20 0.60
TLR8 Q9NR97 5/20 0.58
TLR7 Q9NYK1 5/20 0.58
TLR9 Q9NR96 4/20 0.58
PIK3CD O00329 5/20 0.55
PIK3CA P42336 5/20 0.55
PIK3CB P42338 5/20 0.55
PIK3CG P48736 5/20 0.55
MTOR P42345 1/20 0.55
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
USP2 O75604 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.50
KCNH2 Q12809 1/20 0.49
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47

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
SCHEMBL182816 0.97 MAP4K1 (0.61) MAP4K1IL2TLR8TLR7TLR9
Tert-Butyl Formate SCHEMBL27767858 0.91 MAP4K1 (0.51) MAP4K1IL2TLR8TLR7TLR9
Tert-Butyl Formate SCHEMBL27767933 0.89 MAP4K1 (0.53) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL182851 0.88 PIK3CD (0.52) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL182583 0.88 GAK (0.60) MAP4K1IL2TLR8TLR7PIK3CD
SCHEMBL183522 0.88 PIK3CD (0.52) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL182858 0.84 PIK3CD (0.67) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL182675 0.84 PIK3CD (0.52) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL28776661 0.84 PIK3CD (0.51) MAP4K1IL2TLR8TLR7TLR9
SCHEMBL28776662 0.82 TLR8 (0.50) MAP4K1IL2TLR8TLR7TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA MAP4K1 47/4885IL2 1714/4885TLR8 1188/4885

“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.