SCHEMBL4569409

SCHEMBL4569409

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3cnn(C)c3)c2c(CCN2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.41
IRAK1 P51617 1/20 0.41
LRRK2 Q5S007 7/20 0.41
PIK3CG P48736 4/20 0.40
PIK3CD O00329 2/20 0.37
PIK3R2 O00459 1/20 0.37
MAPK1 P28482 1/20 0.36
MKNK1 Q9BUB5 1/20 0.34
PDPK1 O15530 1/20 0.34
SYK P43405 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
SCHEMBL4569397 0.88 PIK3CD (0.40) LRRK2PIK3CDPIK3R2MAPK1SYK
SCHEMBL14329217 0.88 PIK3CD (0.40) LRRK2PIK3CDPIK3R2MAPK1SYK
SCHEMBL4569410 0.87 IRAK4 (0.41) IRAK4IRAK1LRRK2PIK3CGPIK3CD
SCHEMBL14329176 0.86 PIK3CD (0.47) LRRK2PIK3CGPIK3CDPIK3R2MAPK1
SCHEMBL4569302 0.86 PIK3CD (0.47) LRRK2PIK3CGPIK3CDPIK3R2MAPK1
SCHEMBL4569434 0.85 PIK3CG (0.41) LRRK2PIK3CGPIK3CDPIK3R2PDPK1
SCHEMBL4569421 0.84 PIK3CG (0.44) IRAK4IRAK1LRRK2PIK3CGPIK3CD
SCHEMBL4569441 0.83 PIK3CG (0.42) IRAK4IRAK1LRRK2PIK3CGPIK3CD
SCHEMBL4569404 0.83 PIK3CG (0.38) IRAK4IRAK1LRRK2PIK3CGPIK3CD
SCHEMBL4569395 0.82 LRRK2 (0.41) IRAK4IRAK1LRRK2PIK3CGPIK3CD

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 8 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
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 IRAK4 567/4885IRAK1 488/4885LRRK2 549/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB IRAK4 567/4885IRAK1 488/4885LRRK2 549/4885

“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.