SCHEMBL4440740

SCHEMBL4440740

Clc1nc(N2CCOCC2)c2sc(-c3ccc(NCCN4CCOCC4)cc3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
FYN P06241 1/20 0.43
KCNH2 Q12809 2/20 0.43
EGFR P00533 2/20 0.43
PIK3CA P42336 7/20 0.42
PIK3R1 P27986 5/20 0.42
MTOR P42345 4/20 0.42
PIKFYVE Q9Y2I7 1/20 0.42
RAD52 P43351 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL4441901 0.89 KDR (0.47) FYNPIK3CAPIK3R1MTOR
SCHEMBL4438137 0.84 KCNH2 (0.42) KCNH2EGFRPIK3CAPIK3R1MTOR
SCHEMBL4439675 0.83 MTOR (0.61) PIK3CAPIK3R1MTOR
SCHEMBL21054518 0.82 PIK3CA (0.53) PIK3CAPIK3R1MTORPIKFYVE
SCHEMBL4555628 0.81 PIK3CA (0.48) KCNH2PIK3CAPIK3R1MTORPIKFYVE
SCHEMBL4439746 0.81 PIK3CA (0.52) KCNH2PIK3CAPIK3R1MTORPIKFYVE
SCHEMBL14034104 0.81 NPY5R (0.57) LMNAKDM4EALDH1A1PIK3CAPIK3R1
SCHEMBL4441909 0.80 MTOR (0.51) LMNAPIK3CAPIK3R1MTORPIKFYVE
SCHEMBL4446199 0.80 PIK3CA (0.47) KCNH2PIK3CAPIK3R1MTORTSHR
SCHEMBL4441214 0.80 PIK3CA (0.50) KCNH2PIK3CAPIK3R1MTORPIKFYVE

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 LMNA 1065/4885KDM4E 3769/4885ALDH1A1 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.