SCHEMBL4439640

SCHEMBL4439640

OCC1CN(c2nc(Cl)nc3sccc23)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
HTR2C P28335 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HRH1 P35367 1/20 0.35
AKT1 P31749 1/20 0.35
PRKDC P78527 2/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4433850 0.82 PIK3CA (0.45) ADORA2AADORA1PIK3CAPIK3CBPIK3CD
SCHEMBL4446132 0.80 PIK3CA (0.69) ADORA2AADORA1PIK3CAPIK3CBPIK3CD
SCHEMBL4433863 0.79 ADORA2A (0.41) ADORA2AADORA1PIK3CAPIK3CBPIK3CD
SCHEMBL190563 0.78 PIK3CA (0.58) PIK3CAPIK3CBMAPK1HSD17B10L3MBTL1
SCHEMBL30655629 0.74 ADORA2A (0.41) ADORA2AADORA1PIK3CAPIK3CBPIK3CD
SCHEMBL16696294 0.72 L3MBTL1 (0.66) PIK3CAPIK3CBMAPK1HSD17B10L3MBTL1
SCHEMBL20589551 0.71 ADORA2A (0.46) ADORA2AADORA1MAPK1HSD17B10L3MBTL1
SCHEMBL20588532 0.71 ADORA2A (0.46) ADORA2AADORA1MAPK1HSD17B10L3MBTL1
SCHEMBL20588533 0.71 ADORA2A (0.46) ADORA2AADORA1MAPK1HSD17B10L3MBTL1
SCHEMBL4439070 0.70 PIK3CA (0.45) PIK3CAPIK3CBPIK3CDPIK3CGKDM4E

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 11 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 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
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 ADORA2A 3004/4885ADORA1 3913/4885PIK3CA 1/4885

“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.