SCHEMBL4569320

SCHEMBL4569320

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
ABCB11 O95342 1/20 0.42
TBXA2R P21731 1/20 0.42
HTR2A P28223 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 1/20 0.39
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
AURKA O14965 3/20 0.36
RPS6KB1 P23443 3/20 0.36
AURKB Q96GD4 2/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL4569319 0.88 PIK3CD (0.44) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569321 0.84 PIK3CD (0.43) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569317 0.82 PIK3R2 (0.39) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569346 0.82 BTK (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569318 0.80 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569310 0.80 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569333 0.80 BTK (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3702405 0.80 PIK3CD (0.42) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3702416 0.80 PIK3CD (0.42) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL3697004 0.80 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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 2/4885PIK3R1 27/4885PIK3CA 1/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R1 27/4885PIK3CA 1/4885

“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.