SCHEMBL4569485

SCHEMBL4569485

C[C@H](Nc1nc(Cl)nc2cccnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
PIK3R2 O00459 1/20 0.39
MOK Q9UQ07 3/20 0.39
GRM4 Q14833 2/20 0.39
ADORA2A P29274 1/20 0.38
RORC P51449 1/20 0.38
CCKBR P32239 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ERBB2 P04626 1/20 0.36
KCNH2 Q12809 1/20 0.36
KAT2B Q92831 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CG P48736 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
SCHEMBL4569483 0.93 TLR8 (0.39) PIK3CDPIK3R2MOKGRM4ADORA2A
SCHEMBL4569377 0.91 PIK3CD (0.49) PIK3CDPIK3R2MOKGRM4ADORA2A
SCHEMBL4569479 0.88 PIK3CD (0.47) PIK3CDPIK3R2MOKGRM4CCKBR
SCHEMBL4569478 0.83 PIK3CD (0.50) PIK3CDPIK3R2ADORA2ACCKBRPIK3R1
SCHEMBL4569379 0.83 EGFR (0.44) PIK3CDPIK3R2MOKHTR2CKDM4E
SCHEMBL4569417 0.82 PIK3CD (0.41) PIK3CDPIK3R2GRM4ADORA2AHPGD
SCHEMBL4569471 0.82 PIK3CD (0.46) PIK3CDPIK3R2ADORA2AERBB2KCNH2
SCHEMBL4569481 0.81 PIK3CD (0.48) PIK3CDPIK3R2ADORA2ASLC40A1PIK3R1
SCHEMBL4569467 0.81 PIK3CD (0.48) PIK3CDPIK3R2GRM4ADORA2APIK3R1
SCHEMBL4569474 0.81 PIK3CD (0.48) PIK3CDPIK3R2GRM4ADORA2APIK3CG

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 35/4885MOK 119/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885MOK 119/4885

“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.