SCHEMBL4438840

SCHEMBL4438840

C[C@H](O)C(=O)NCc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.45
PIK3CA P42336 9/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
TARS1 P26639 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3R1 P27986 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
STK17B O94768 1/20 0.39
NPY5R Q15761 1/20 0.39
KIT P10721 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
SCHEMBL4435279 0.93 MTOR (0.41) MTORPIK3CAPIKFYVEPIK3CDPIK3CB
SCHEMBL5115574 0.93 MTOR (0.41) MTORPIK3CAPIKFYVEPIK3CDPIK3CB
SCHEMBL4436465 0.90 PIK3CA (0.49) MTORPIK3CAPIKFYVEPIK3CDPIK3CB
SCHEMBL4435182 0.87 PIK3CA (0.44) MTORPIK3CAPIKFYVEPIK3CDPIK3CB
SCHEMBL1867411 0.86 MTOR (0.47) MTORPIK3CAPIKFYVEPIK3R1STK17B
SCHEMBL4439713 0.85 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL27943081 0.85 MTOR (0.66) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1859258 0.84 MTOR (0.46) MTORPIK3CATARS1PIK3CDPIK3CB
SCHEMBL27943160 0.84 MTOR (0.46) MTORPIK3CATARS1PIK3CDPIK3CB
SCHEMBL4439757 0.83 MTOR (0.53) MTORPIK3CAPIKFYVEPIK3CDPIK3CB

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 1/4885PIKFYVE 27/4885

“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.