SCHEMBL4569377

SCHEMBL4569377

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.49
PIK3R2 O00459 4/20 0.49
ERBB2 P04626 4/20 0.42
KCNH2 Q12809 1/20 0.42
EGFR P00533 1/20 0.41
SOS1 Q07889 2/20 0.39
PIK3CG P48736 1/20 0.39
CCKBR P32239 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MOK Q9UQ07 2/20 0.38
GRM4 Q14833 1/20 0.38
ADORA2A P29274 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL4569479 0.97 PIK3CD (0.47) PIK3CDPIK3R2ERBB2KCNH2EGFR
SCHEMBL4569478 0.92 PIK3CD (0.50) PIK3CDPIK3R2PIK3CGCCKBRADORA2A
SCHEMBL4569485 0.91 PIK3CD (0.39) PIK3CDPIK3R2ERBB2KCNH2PIK3CG
SCHEMBL4569417 0.91 PIK3CD (0.41) PIK3CDPIK3R2ERBB2KCNH2SOS1
SCHEMBL4569471 0.90 PIK3CD (0.46) PIK3CDPIK3R2ERBB2KCNH2PIK3CG
SCHEMBL4569467 0.90 PIK3CD (0.48) PIK3CDPIK3R2SOS1PIK3CGGRM4
SCHEMBL4569481 0.90 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGADORA2A
SCHEMBL4569474 0.90 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGGRM4ADORA2A
SCHEMBL4569483 0.89 TLR8 (0.39) PIK3CDPIK3R2PIK3CGCCKBRMOK
SCHEMBL4569379 0.89 EGFR (0.44) PIK3CDPIK3R2ERBB2KCNH2EGFR

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 35/4885ERBB2 346/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885ERBB2 346/4885

“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.