SCHEMBL4569336

SCHEMBL4569336

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2c(F)ccc(Cl)c2c(CCN2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
PIK3R2 O00459 2/20 0.41
EGFR P00533 13/20 0.37
KDR P35968 5/20 0.35
FLT4 P35916 3/20 0.35
SRC P12931 3/20 0.35
MAPT P10636 2/20 0.35
CIT O14578 1/20 0.35
GAK O14976 1/20 0.35
EPHB6 O15197 1/20 0.35
ABCC4 O15439 1/20 0.35
DAPK3 O43293 1/20 0.35
RIPK2 O43353 1/20 0.35
NR1I2 O75469 1/20 0.35
RPS6KA4 O75676 1/20 0.35
STK17B O94768 1/20 0.35
STK10 O94804 1/20 0.35
PRKD3 O94806 1/20 0.35
ABCB11 O95342 1/20 0.35
MAP4K4 O95819 1/20 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
SCHEMBL4569338 0.87 PIK3CD (0.38) PIK3CDPIK3R2EGFRSRCKDM4E
SCHEMBL14329176 0.87 PIK3CD (0.47) PIK3CDPIK3R2EGFRABCB11PIK3CB
SCHEMBL4569302 0.87 PIK3CD (0.47) PIK3CDPIK3R2EGFRABCB11PIK3CB
SCHEMBL3701674 0.83 PIK3CD (0.46) PIK3CDPIK3R2EGFRKDRSRC
SCHEMBL3701676 0.83 PIK3CD (0.46) PIK3CDPIK3R2EGFRKDRSRC
SCHEMBL4569334 0.83 KDM4E (0.41) PIK3CDPIK3R2EGFRMAP4K4KDM4E
SCHEMBL4569397 0.82 PIK3CD (0.40) PIK3CDPIK3R2EGFRSRCKDM4E
SCHEMBL14329217 0.82 PIK3CD (0.40) PIK3CDPIK3R2EGFRSRCKDM4E
SCHEMBL4569303 0.80 PIK3CD (0.45) PIK3CDPIK3R2EGFRABCB11KCNH2
SCHEMBL14329209 0.80 PIK3CD (0.41) PIK3CDPIK3R2ABCB11PIK3CB

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 35/4885EGFR 1194/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885EGFR 1194/4885

“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.