SCHEMBL4569401

SCHEMBL4569401

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(-c3cnn(C)c3)c2c(OCCN2CCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.37
PIK3CD O00329 2/20 0.36
PIK3R2 O00459 1/20 0.36
ACVRL1 P37023 4/20 0.36
ACVR1 Q04771 4/20 0.36
BMPR1B O00238 3/20 0.36
BMPR1A P36894 3/20 0.36
ACVR1B P36896 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.36
ERBB4 Q15303 1/20 0.36
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MAP4K4 O95819 1/20 0.35
SRC P12931 2/20 0.35
KDR P35968 2/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
ZAP70 P43403 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL4569404 0.87 PIK3CG (0.38) PIK3CGPIK3CDEGFRIRAK1IRAK4
SCHEMBL4569412 0.86 PIK3CD (0.40) PIK3CDPIK3R2EGFRMAP4K4SRC
SCHEMBL4569368 0.86 PIK3CD (0.48) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569411 0.83 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569410 0.83 IRAK4 (0.41) PIK3CGPIK3CDPIK3R2ACVRL1ACVR1
SCHEMBL4569488 0.82 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL5019540 0.79 EGFR (0.44) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569435 0.78 PIK3CG (0.39) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL14649370 0.76 PIK3CG (0.54) PIK3CGPIK3CDPIK3R2EGFRERBB2
SCHEMBL4569447 0.75 PIK3CG (0.44) 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 7/4885PIK3CD 2/4885PIK3R2 35/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885PIK3CD 2/4885PIK3R2 35/4885

“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.