SCHEMBL4569391

SCHEMBL4569391

Cc1cnc(N)nc1N[C@@H](C)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.42
PIK3R2 O00459 5/20 0.42
PIK3CG P48736 4/20 0.42
SOS1 Q07889 1/20 0.35
TLR9 Q9NR96 1/20 0.35
AVPR1B P47901 4/20 0.34
LCK P06239 2/20 0.34
INSR P06213 1/20 0.34
LYN P07948 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL16269981 0.92 PIK3CD (0.38) PIK3CDPIK3R2PIK3CGSOS1TLR9
SCHEMBL5019521 0.89 PIK3CD (0.40) PIK3CDPIK3R2PIK3CGSOS1
SCHEMBL14329176 0.81 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGPIK3R1
SCHEMBL4569302 0.81 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGPIK3R1
SCHEMBL4569341 0.80 PIK3CD (0.45) PIK3CDPIK3R2PIK3CG
SCHEMBL14649339 0.80 PIK3CD (0.36) PIK3CDPIK3R2PIK3CGSOS1INSR
SCHEMBL4535138 0.79 SIGMAR1 (0.41) PIK3CDPIK3R2PIK3CGAVPR1BLCK
SCHEMBL3695237 0.79 SIGMAR1 (0.41) PIK3CDPIK3R2PIK3CGAVPR1BLCK
SCHEMBL4569343 0.79 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGSRCKDR
SCHEMBL3693362 0.78 PIK3CD (0.47) 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 4 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-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-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 35/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885PIK3CG 7/4885

“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.