SCHEMBL4438348

SCHEMBL4438348

COc1ccncc1-c1cc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
GSK3B P49841 2/20 0.42
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LRRK2 Q5S007 3/20 0.41
MAP4K1 Q92918 1/20 0.41
PIKFYVE Q9Y2I7 1/20 0.41
PIK3CA P42336 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
SCHEMBL4445174 0.86 PIK3CA (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL4436897 0.83 PIK3CA (0.60) PIK3CAPIK3CB
SCHEMBL4438175 0.82 PIK3CA (0.52) MAPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1192528 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1GSK3BATRATRIP
SCHEMBL21054255 0.80 KDM4E (0.60) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL1858899 0.79 PIK3CA (0.59) CLK4LRRK2PIK3CAPIK3CB
SCHEMBL1192123 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1GSK3BATRATRIP
SCHEMBL4436569 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1ALDH1A1LMNATSHR
SCHEMBL14034101 0.74 ALDH1A1 (0.74) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD
SCHEMBL21054789 0.74 KDM4E (0.47) SMN1; SMN2MAPK1ALDH1A1KDM4EHPGD

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
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-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
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 SMN1; SMN2 1323/4885MAPK1 134/4885ALDH1A1 4026/4885

“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.