SCHEMBL4555846

SCHEMBL4555846

Clc1nc(N2CCOCC2)c2sc(-c3cccc(-c4nnn[nH]4)c3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.44
PIK3CA P42336 14/20 0.43
PIK3R1 P27986 9/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
NPY5R Q15761 1/20 0.41
PRKCI P41743 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14034104 0.84 NPY5R (0.57) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL4555908 0.83 MTOR (0.66) MTORPIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1862105 0.81 MTOR (0.53) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL4555504 0.80 PIKFYVE (0.48) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL21054518 0.80 PIK3CA (0.53) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL4436820 0.79 MTOR (0.49) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL1865304 0.79 PIKFYVE (0.51) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL1864149 0.79 CYP1A2 (0.50) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL1862960 0.78 PIK3CA (0.55) MTORPIK3CAPIK3R1PIKFYVENPY5R
SCHEMBL5108651 0.78 PIK3CA (0.50) MTORPIK3CAPIK3R1PIKFYVENPY5R

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 MTOR 11/4885PIK3CA 1/4885PIK3R1 16/4885

“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.