SCHEMBL4569411

SCHEMBL4569411

CC(C)N1CCC(Oc2nc([C@H](C)Nc3ncnc4cccnc34)cc3cccc(-c4cnn(C)c4)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.39
WNT1 P04628 2/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
PIK3CD O00329 3/20 0.35
PIK3R2 O00459 2/20 0.35
TTK P33981 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
NMT1 P30419 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
LRRK2 Q5S007 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
IRAK1 P51617 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 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
SCHEMBL4569407 0.87 PIK3CG (0.40) PIK3CGWNT1GSK3BDYRK1APIK3CD
SCHEMBL4569414 0.86 PIK3CD (0.39) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569371 0.85 PIK3CD (0.47) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569401 0.83 PIK3CG (0.37) PIK3CGGSK3BDYRK1APIK3CDPIK3R2
SCHEMBL4569488 0.81 PIK3CG (0.39) PIK3CGDYRK1APIK3CDPIK3R2TTK
SCHEMBL5019540 0.78 EGFR (0.44) PIK3CGPIK3CDPIK3R2TTKEGFR
SCHEMBL4569410 0.77 IRAK4 (0.41) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL14649370 0.77 PIK3CG (0.54) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569435 0.77 PIK3CG (0.39) PIK3CGGSK3BDYRK1APIK3CDPIK3R2
SCHEMBL4569447 0.76 PIK3CG (0.44) PIK3CGWNT1GSK3BDYRK1APIK3CD

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 7/4885WNT1 2056/4885GSK3B 92/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885WNT1 2056/4885GSK3B 92/4885

“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.