SCHEMBL4569366

SCHEMBL4569366

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.56
PIK3R2 O00459 11/20 0.56
PIK3CG P48736 7/20 0.44
PIK3CB P42338 5/20 0.41
PIK3R1 P27986 4/20 0.41
PIK3CA P42336 3/20 0.41
ABCB11 O95342 1/20 0.41
TBXA2R P21731 1/20 0.41
HTR2A P28223 1/20 0.41
PDE3A Q14432 1/20 0.41
PARP1 P09874 1/20 0.39

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
SCHEMBL14649380 0.81 PIK3CD (0.42) PIK3CDPIK3R2PIK3CGPIK3CBPARP1
SCHEMBL4569365 0.81 PIK3CD (0.54) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL14649227 0.80 PIK3CD (0.56) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL15692418 0.79 PIK3CD (0.41) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL14649106 0.78 PIK3CD (0.66) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL14649421 0.77 PIK3CD (0.64) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL4569405 0.77 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL4569472 0.76 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL16541334 0.76 PIK3CD (0.57) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1
SCHEMBL14649116 0.75 PIK3CD (0.63) PIK3CDPIK3R2PIK3CGPIK3CBPIK3R1

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 PIK3CD 2/4885PIK3R2 35/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885PIK3CG 7/4885

“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.