SCHEMBL4569435

SCHEMBL4569435

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R2 O00459 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
SOS1 Q07889 1/20 0.36
ERBB2 P04626 5/20 0.36
PDPK1 O15530 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL4569434 0.87 PIK3CG (0.41) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL17913949 0.87 SOS1 (0.39) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL4569447 0.87 PIK3CG (0.44) PIK3CGPIK3CDPIK3R2CCNCCDK8
SCHEMBL4569417 0.86 PIK3CD (0.41) PIK3CDPIK3R2SOS1ERBB2ADORA2A
SCHEMBL4569377 0.86 PIK3CD (0.49) PIK3CGPIK3CDPIK3R2SOS1ERBB2
SCHEMBL4569410 0.85 IRAK4 (0.41) PIK3CGPIK3CDPIK3R2ERBB2EGFR
SCHEMBL4569479 0.83 PIK3CD (0.47) PIK3CGPIK3CDPIK3R2SOS1ERBB2
SCHEMBL4569526 0.82 ADORA2A (0.41) PIK3CDPIK3R2SOS1JAK2JAK3
SCHEMBL4569488 0.81 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2ERBB2PDPK1
SCHEMBL4569432 0.81 NPC1 (0.39) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885PIK3R2 35/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885PIK3R2 35/4885

“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.