SCHEMBL5138967

SCHEMBL5138967

CC(=O)N(C)Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.50
MTOR P42345 2/20 0.50
PIK3CB P42338 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
HDAC1 Q13547 1/20 0.38
PIK3R1 P27986 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5139891 0.87 HSD17B10 (0.49) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL4440313 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL5101883 0.83 PIK3CA (0.46) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL1862478 0.83 PIK3CA (0.67) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL1863036 0.83 PIK3CA (0.67) PIK3CAMTORPIK3CBHDAC1PIK3R1
SCHEMBL5139108 0.83 PIK3CA (0.47) PIK3CAPIK3CBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4435283 0.82 PIK3CA (0.59) PIK3CAMTORPIK3CBALDH1A1HSD17B10
SCHEMBL4446876 0.81 PIK3CA (0.75) PIK3CAMTORPIK3CB
SCHEMBL4434053 0.81 PIK3CA (0.50) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1
SCHEMBL1180289 0.80 PIK3CA (0.69) PIK3CAMTORPIK3CBSMN1; SMN2ALDH1A1

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 PIK3CA 1/4885MTOR 11/4885PIK3CB 15/4885

“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.