SCHEMBL4436783

SCHEMBL4436783

COc1ccncc1-c1nc(N2CCOCC2)c2oc(-c3cnccc3OC)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
USP2 O75604 2/20 0.50
CYP2D6 P10635 1/20 0.50
TRPM8 Q7Z2W7 2/20 0.45
LRRK2 Q5S007 2/20 0.42
MAP4K1 Q92918 1/20 0.42
MTOR P42345 3/20 0.41
PIK3CA P42336 3/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 2/20 0.41
HPGD P15428 1/20 0.41
GSK3B P49841 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL4443734 0.91 ALDH1A1 (0.53) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL4447723 0.91 USP2 (0.43) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL4436569 0.90 SMN1; SMN2 (0.54) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL4446941 0.90 PIK3CA (0.51) MTORPIK3CA
SCHEMBL4435468 0.87 PIK3CA (0.52) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL1861796 0.86 PIK3CA (0.57) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL4443685 0.83 MTOR (0.41) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL4439851 0.83 PIK3CD (0.47) MTORPIK3CAALDH1A1HIF1AHPGD
SCHEMBL4441536 0.77 PIK3CA (0.63) CYP1A2CYP3A4MAPK1CLK4USP2
SCHEMBL14052007 0.76 PIK3CA (0.49) CYP1A2CYP3A4MAPK1CLK4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US claimed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP claimed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US claimed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO claimed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA CYP1A2 1380/4885CYP3A4 1493/4885MAPK1 134/4885

“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.