SCHEMBL4569416

SCHEMBL4569416

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(CCN3CCOCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
PIK3CD O00329 4/20 0.39
PIK3R2 O00459 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 7/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CG P48736 1/20 0.35
MAP4K4 O95819 1/20 0.35
SRC P12931 2/20 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
SCHEMBL4569343 0.91 PIK3CD (0.47) PIK3CDPIK3R2CYP1A2CYP3A4CYP2D6
SCHEMBL4569410 0.87 IRAK4 (0.41) ELANEPIK3CDPIK3R2ALDH1A1CYP1A2
SCHEMBL4569397 0.86 PIK3CD (0.40) ELANEPIK3CDPIK3R2ALDH1A1CYP1A2
SCHEMBL14329217 0.86 PIK3CD (0.40) ELANEPIK3CDPIK3R2ALDH1A1CYP1A2
SCHEMBL4569417 0.81 PIK3CD (0.41) PIK3CDPIK3R2ALDH1A1USP2NPC1
SCHEMBL4569412 0.80 PIK3CD (0.40) PIK3CDPIK3R2CYP3A4CYP2D6EGFR
SCHEMBL4569341 0.80 PIK3CD (0.45) PIK3CDPIK3R2ALDH1A1CYP1A2CYP3A4
SCHEMBL4569302 0.78 PIK3CD (0.47) PIK3CDPIK3R2CYP1A2CYP3A4CYP2D6
SCHEMBL14329176 0.78 PIK3CD (0.47) PIK3CDPIK3R2CYP1A2CYP3A4CYP2D6
SCHEMBL14329183 0.78 PIK3R1 (0.38) PIK3CDPIK3R2CYP3A4EGFRPIK3CG

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 ELANE 1219/4885PIK3CD 2/4885PIK3R2 35/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ELANE 1219/4885PIK3CD 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.