SCHEMBL4433863

SCHEMBL4433863

Cc1csc2nc(Cl)nc(N3CCOC(CO)C3)c12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SYK P43405 2/20 0.39
LRRK2 Q5S007 5/20 0.39
ESR1 P03372 1/20 0.37
PDE10A Q9Y233 1/20 0.37
SLC34A1 Q06495 2/20 0.36
PRKCI P41743 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL4441196 0.81 PIK3CA (0.50) ADORA2AADORA1SYKLRRK2PRKCI
SCHEMBL4556149 0.80 SMN1; SMN2 (0.43) ESR1PRKCIPIK3CAALDH1A1POLB
SCHEMBL4439640 0.79 ADORA2A (0.44) ADORA2AADORA1SYKLRRK2PDE10A
SCHEMBL4433850 0.74 PIK3CA (0.45) ADORA2AADORA1SYKPRKCIPIK3CD
SCHEMBL31200599 0.71 ADORA2A (0.50) ADORA2AADORA1SYKLRRK2PDE10A
SCHEMBL4441440 0.69 MTOR (0.49) PIK3CDPIK3CA
SCHEMBL4441433 0.69 MTOR (0.49) PIK3CDPIK3CA
SCHEMBL30655629 0.69 ADORA2A (0.41) ADORA2AADORA1SYKLRRK2PDE10A
SCHEMBL17623230 0.66 ADORA2A (0.42) ADORA2AADORA1SYKLRRK2PDE10A
SCHEMBL31200530 0.65 LRRK2 (0.43) ADORA2AADORA1LRRK2PDE10ASLC34A1

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 3913/4885SYK 932/4885

“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.