SCHEMBL4569324

SCHEMBL4569324

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(CC(=O)N2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.41
PIK3CD O00329 14/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PDE3A Q14432 1/20 0.40
PIK3R2 O00459 12/20 0.37
HSD11B1 P28845 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
SCHEMBL4569325 0.94 PIK3CD (0.39) ALKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569323 0.93 PIK3CD (0.41) ALKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569332 0.89 PIK3CD (0.39) ALKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL17913947 0.88 PIK3CD (0.39) ALKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569310 0.86 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569486 0.86 PIK3CD (0.41) ALKPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569318 0.85 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL14329230 0.85 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL14329209 0.85 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569305 0.84 PIK3CD (0.41) ALKPIK3CDPIK3R1PIK3CAPIK3CB

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 ALK 744/4885PIK3CD 2/4885PIK3R1 27/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALK 744/4885PIK3CD 2/4885PIK3R1 27/4885

“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.