SCHEMBL4569441

SCHEMBL4569441

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.42
PIK3CD O00329 6/20 0.41
IRAK1 P51617 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PDPK1 O15530 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
LRRK2 Q5S007 5/20 0.36
TTK P33981 2/20 0.35
ABCB11 O95342 1/20 0.35
TBXA2R P21731 1/20 0.35
HTR2A P28223 1/20 0.35
PDE3A Q14432 1/20 0.35
PIK3R2 O00459 1/20 0.34

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
SCHEMBL4569421 0.91 PIK3CG (0.44) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL4569395 0.87 LRRK2 (0.41) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL4569440 0.84 PIK3CD (0.36) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569409 0.83 IRAK4 (0.41) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL4569404 0.83 PIK3CG (0.38) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL4569434 0.82 PIK3CG (0.41) PIK3CGPIK3CDPDPK1RPS6KB1PIK3CA
SCHEMBL179585 0.82 PIK3CG (0.45) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL4569407 0.82 PIK3CG (0.40) PIK3CGPIK3CDIRAK1IRAK4PDPK1
SCHEMBL3697004 0.82 PIK3CD (0.45) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3697002 0.82 PIK3CD (0.45) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB

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 2/4885IRAK1 488/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885IRAK1 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.