SCHEMBL183243

SCHEMBL183243

COc1ccc(-c2ccc3ncnc(-n4cncn4)c3c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.48
PIK3CD O00329 9/20 0.47
PIK3CA P42336 9/20 0.47
PIK3CB P42338 9/20 0.47
PIK3CG P48736 9/20 0.47
MTOR P42345 1/20 0.47
CLK4 Q9HAZ1 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2C19 P33261 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HIF1A Q16665 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18009412 0.83 ATM (0.56) ATM
SCHEMBL182706 0.82 PIK3CD (0.48) GAKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29450569 0.80 RAF1 (0.58) CLK4CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1505994 0.80 RAF1 (0.58) CLK4CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL182743 0.79 PIK3CD (0.52) GAKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13323859 0.77 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4363770 0.77 GAK (0.64) GAKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1823218 0.77 KDR (0.51) RAF1BRAF
SCHEMBL4360621 0.76 CYP3A4 (0.73) GAKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18057355 0.75 PDGFRB (0.40) ALDH1A1LMNAKDM4EHPGDSMN1; 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 7 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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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 77/4885PIK3CD 6/4885PIK3CA 3/4885

“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.