SCHEMBL1497585

SCHEMBL1497585

CC(C)=CC(=O)CCC(=O)N1CCN(Cc2cc(Cl)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
AKR1C3 P42330 1/20 0.39
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR7 P34969 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1497717 0.83 PIK3CA (0.50) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1497583 0.80 NPC1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGHSD17B10
SCHEMBL1497553 0.78 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1497347 0.77 TBK1 (0.49) PIK3CDPIK3CAAKR1C3SMN1; SMN2
SCHEMBL2396607 0.72 KMT2A (0.36) PIK3CDPIK3CAPIK3CBPIK3CGHSD17B10
SCHEMBL13196341 0.71 AKT1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGHSD17B10
SCHEMBL23139517 0.70 PIK3CA (0.52) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL23139512 0.69 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBPIK3CGNPC1
SCHEMBL12488541 0.69 AKT1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGHSD17B10
SCHEMBL23608032 0.68 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CD 5/4885PIK3CA 1/4885PIK3CB 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.