SCHEMBL13196341

SCHEMBL13196341

CC(C)=CC(=O)CCC(=O)Nc1ccc(-c2cc(Cl)nc(N3CCOCC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.46
PIK3CD O00329 5/20 0.46
PIK3CB P42338 5/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CA P42336 2/20 0.46
HSD17B10 Q99714 6/20 0.45
RAB9A P51151 5/20 0.45
GAA P10253 5/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL12488541 0.86 AKT1 (0.44) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL12849420 0.84 PIK3CA (0.49) AKT1PIK3CA
SCHEMBL12312914 0.78 JAK3 (0.52) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL12849425 0.76 PIK3CD (0.47) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL12849511 0.75 PIK3CA (0.48) AKT1PIK3CDPIK3CBPIK3CAHSD17B10
SCHEMBL12488477 0.74 PIK3CA (0.46) AKT1PIK3CA
SCHEMBL2396607 0.73 KMT2A (0.36) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1497583 0.72 NPC1 (0.43) PIK3CDPIK3CBPIK3CGPIK3CAHSD17B10
SCHEMBL1497585 0.71 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAHSD17B10
SCHEMBL12312932 0.70 PIK3CA (0.52) AKT1PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 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-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B AKT1 27/4885PIK3CD 5/4885PIK3CB 2/4885

“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.