SCHEMBL4435243

SCHEMBL4435243

Clc1nc(N2CCOCC2)c2scc(-c3cccs3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
PIK3CA P42336 6/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CB P42338 1/20 0.48
STK4 Q13043 1/20 0.47
STK3 Q13188 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.46
PIK3CD O00329 2/20 0.44
PRKDC P78527 2/20 0.44
MTOR P42345 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4435238 0.83 HTR2C (0.74) HTR2CPIK3CAPIK3CGPIK3CBSTK4
SCHEMBL1858722 0.81 HTR2C (0.47) HTR2CPIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL4446746 0.80 PIK3CA (0.68) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL4441568 0.79 HTR2C (0.58) HTR2CPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL1284337 0.77 PIK3CA (0.46) HTR2CPIK3CAPIK3CGALDH1A1PIK3CD
SCHEMBL4439753 0.76 HTR2C (0.45) HTR2CPIK3CARAB9ANPC1SMN1; SMN2
SCHEMBL1181305 0.76 PIK3CA (0.60) HTR2CPIK3CAALDH1A1RAB9ANPC1
SCHEMBL4440965 0.74 HTR2C (0.53) HTR2CPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL9937571 0.73 HTR2C (0.43) HTR2CPIK3CAMTORRAB9ANPC1
SCHEMBL4248606 0.73 HTR2C (0.43) HTR2CPIK3CAPIK3CDRAB9ANPC1

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 HTR2C 2012/4885PIK3CA 1/4885PIK3CG 21/4885

“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.