SCHEMBL182583

SCHEMBL182583

COc1ccc(-c2ccc3ncnc(-c4ccc(N5CCOCC5)nc4)c3c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 4/20 0.60
MAP4K1 Q92918 2/20 0.59
TLR8 Q9NR97 1/20 0.58
TLR7 Q9NYK1 1/20 0.58
PDE10A Q9Y233 2/20 0.56
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
ERN1 O75460 1/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL182950 0.88 MAP4K1 (0.60) GAKMAP4K1TLR8TLR7PIK3CD
SCHEMBL182816 0.85 MAP4K1 (0.61) MAP4K1TLR8TLR7PIK3CDPIK3CA
SCHEMBL182675 0.84 PIK3CD (0.52) GAKMAP4K1TLR8TLR7PIK3CD
SCHEMBL182858 0.84 PIK3CD (0.67) GAKMAP4K1TLR8TLR7PIK3CD
SCHEMBL28776662 0.82 TLR8 (0.50) GAKMAP4K1TLR8TLR7PIK3CD
SCHEMBL28776661 0.82 PIK3CD (0.51) MAP4K1TLR8TLR7PIK3CDPIK3CA
SCHEMBL4355316 0.82 GAK (0.83) GAKPDE10AMEN1ALDH1A1LMNA
SCHEMBL182904 0.81 PIK3CD (0.57) TLR8TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL27767855 0.81 PIK3CD (0.49) MAP4K1TLR8TLR7PIK3CDPIK3CA
SCHEMBL324652 0.80 PIK3CD (0.49) MAP4K1TLR8TLR7PIK3CDPIK3CA

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 5 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

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 GAK 77/4885MAP4K1 47/4885TLR8 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.