SCHEMBL4569447

SCHEMBL4569447

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(C(=O)N2C3CCC2COC3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.44
SOS1 Q07889 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3R2 O00459 2/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
EGFR P00533 3/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PDE4A P27815 1/20 0.33
AURKB Q96GD4 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL4569449 0.88 PIK3CG (0.45) PIK3CGSOS1PIK3CDPDPK1RPS6KB1
SCHEMBL4569418 0.87 PIK3CD (0.40) PIK3CGSOS1PIK3CDPIK3R2
SCHEMBL4569435 0.87 PIK3CG (0.39) PIK3CGSOS1PIK3CDPIK3R2PDPK1
SCHEMBL4569387 0.86 PIK3CD (0.48) PIK3CGSOS1PIK3CDPIK3R2
SCHEMBL14649241 0.79 PIK3CG (0.64) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569488 0.78 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2PDPK1RPS6KB1
SCHEMBL4569410 0.78 IRAK4 (0.41) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL14649370 0.77 PIK3CG (0.54) PIK3CGSOS1PIK3CDPIK3R2PDPK1
SCHEMBL5019540 0.77 EGFR (0.44) PIK3CGPIK3CDPIK3R2PDPK1RPS6KB1
SCHEMBL4569411 0.76 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2EGFRERBB2

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 7/4885SOS1 1223/4885PIK3CD 2/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885SOS1 1223/4885PIK3CD 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.