SCHEMBL4569368

SCHEMBL4569368

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(OCCN2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.48
PIK3R2 O00459 7/20 0.48
KDR P35968 8/20 0.41
SRC P12931 6/20 0.41
PIK3CG P48736 1/20 0.41
EGFR P00533 3/20 0.40
ERBB2 P04626 2/20 0.40
EPHB4 P54760 3/20 0.37
EPHA2 P29317 2/20 0.37
LCK P06239 2/20 0.36
ABL1 P00519 1/20 0.36
YES1 P07947 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDGFRB P09619 1/20 0.36
CYP2D6 P10635 1/20 0.36
FGFR2 P21802 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAP4K4 O95819 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
SCHEMBL4569412 0.91 PIK3CD (0.40) PIK3CDPIK3R2KDRSRCEGFR
SCHEMBL4569401 0.86 PIK3CG (0.37) PIK3CDPIK3R2KDRSRCPIK3CG
SCHEMBL4569403 0.85 PIK3CD (0.40) PIK3CDPIK3R2KDRSRCPIK3CG
SCHEMBL4569382 0.85 PIK3CD (0.48) PIK3CDPIK3R2KDRSRCPIK3CG
SCHEMBL15888076 0.85 PIK3CD (0.40) PIK3CDPIK3R2KDRSRCPIK3CG
SCHEMBL4569343 0.80 PIK3CD (0.47) PIK3CDPIK3R2KDRSRCPIK3CG
SCHEMBL4569371 0.80 PIK3CD (0.47) PIK3CDPIK3R2SRCPIK3CGEGFR
SCHEMBL4569365 0.80 PIK3CD (0.54) PIK3CDPIK3R2PIK3CGEGFRMAP4K4
SCHEMBL4569360 0.79 PIK3CD (0.51) PIK3CDPIK3R2PIK3CGCYP3A4CYP2D6
SCHEMBL14649408 0.79 PIK3CD (0.54) PIK3CDPIK3R2PIK3CG

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 35/4885KDR 1642/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885KDR 1642/4885

“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.