SCHEMBL5115574

SCHEMBL5115574

CC(O)C(=O)NCc1ccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
KIT P10721 2/20 0.41
PIK3CA P42336 9/20 0.41
PIK3R1 P27986 5/20 0.41
PIKFYVE Q9Y2I7 1/20 0.40
PTGES O14684 1/20 0.40
STK17B O94768 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 1.00 MTOR (0.41) MTORJAK2JAK1TYK2KIT
SCHEMBL4438840 0.93 MTOR (0.45) MTORJAK2JAK1TYK2KIT
SCHEMBL4433859 0.87 JAK2 (0.43) MTORJAK2JAK1TYK2KIT
SCHEMBL4436098 0.85 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CB
SCHEMBL4436096 0.85 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CB
SCHEMBL1867411 0.83 MTOR (0.47) MTORPIK3CAPIK3R1PIKFYVESTK17B
SCHEMBL4436465 0.82 PIK3CA (0.49) MTORJAK2JAK1TYK2KIT
SCHEMBL4555628 0.80 PIK3CA (0.48) MTORPIK3CAPIK3R1PIKFYVESTK17B
SCHEMBL4435182 0.79 PIK3CA (0.44) MTORJAK2JAK1TYK2PIK3CA
SCHEMBL1858510 0.79 PIK3CA (0.49) MTORJAK2PIK3CAPIK3R1PIKFYVE

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 3 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
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US 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 11/4885JAK2 407/4885JAK1 482/4885

“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.