SCHEMBL4569404

SCHEMBL4569404

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3cnn(C)c3)c2c(OCCN2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.38
IRAK4 Q9NWZ3 3/20 0.35
IRAK1 P51617 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
PIK3CD O00329 4/20 0.34
LRRK2 Q5S007 3/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
ZAP70 P43403 1/20 0.33
JAK3 P52333 1/20 0.33
TNK2 Q07912 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL4569401 0.87 PIK3CG (0.37) PIK3CGIRAK4IRAK1GSK3BDYRK1A
SCHEMBL4569399 0.86 PIK3R1 (0.36) PIK3CDJAK2EGFRLCKSRC
SCHEMBL4569403 0.86 PIK3CD (0.40) PIK3CGPIK3CDJAK2EGFRLCK
SCHEMBL15888076 0.85 PIK3CD (0.40) PIK3CGPIK3CDJAK2EGFRLCK
SCHEMBL4569421 0.84 PIK3CG (0.44) PIK3CGIRAK4IRAK1PIK3CDLRRK2
SCHEMBL4569441 0.83 PIK3CG (0.42) PIK3CGIRAK4IRAK1PIK3CDLRRK2
SCHEMBL4569407 0.83 PIK3CG (0.40) PIK3CGIRAK4IRAK1GSK3BDYRK1A
SCHEMBL4569409 0.83 IRAK4 (0.41) PIK3CGIRAK4IRAK1PIK3CDLRRK2
SCHEMBL4569395 0.82 LRRK2 (0.41) PIK3CGIRAK4IRAK1PIK3CDLRRK2
SCHEMBL14329222 0.79 PIK3CD (0.46) PIK3CGPIK3CDEGFRSRCKDR

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 7/4885IRAK4 567/4885IRAK1 488/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885IRAK4 567/4885IRAK1 488/4885

“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.