SCHEMBL4446558

SCHEMBL4446558

Cc1c(-c2cccc(OCCN3CCOCC3)c2)sc2c(N3CCOCC3)nc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
MTOR P42345 2/20 0.47
KDM4E B2RXH2 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
NPC1 O15118 2/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.42
AIMP2 Q13155 1/20 0.42
SRC P12931 1/20 0.41
MET P08581 1/20 0.41
HTT P42858 1/20 0.40
KDR P35968 1/20 0.40
RAB9A P51151 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
SCHEMBL4433918 0.91 MTOR (0.49) PIK3CAMTORKDM4ETP53TSHR
SCHEMBL4446733 0.85 MTOR (0.68) PIK3CAMTOR
SCHEMBL5109178 0.81 MTOR (0.56) PIK3CAMTORKDM4ETSHRALDH1A1
SCHEMBL4433784 0.81 PIK3CA (0.56) PIK3CAMTORKDR
SCHEMBL4447055 0.80 MTOR (0.51) PIK3CAMTORKDM4ETSHRALDH1A1
SCHEMBL4438363 0.80 PIK3CA (0.51) PIK3CAMTORKDM4EALDH1A1
SCHEMBL27943089 0.79 MTOR (0.50) PIK3CAMTORKDM4ETP53TSHR
SCHEMBL1859483 0.78 MTOR (0.71) PIK3CAMTORKDM4ETSHRALDH1A1
SCHEMBL1866732 0.78 PIK3CA (0.57) PIK3CAMTORKDM4ETSHRNPC1
SCHEMBL1859486 0.78 MTOR (0.71) PIK3CAMTORKDM4ETSHRALDH1A1

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 PIK3CA 1/4885MTOR 11/4885KDM4E 3769/4885

“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.