SCHEMBL4569423

SCHEMBL4569423

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(OC2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.47
PIK3R2 O00459 6/20 0.47
EGFR P00533 6/20 0.43
PIK3CG P48736 2/20 0.41
GPR119 Q8TDV5 1/20 0.37
ERBB2 P04626 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SRC P12931 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
SCHEMBL14329129 0.89 EGFR (0.46) PIK3CDEGFRPIK3CGERBB2KCNH2
SCHEMBL4569371 0.89 PIK3CD (0.47) PIK3CDPIK3R2EGFRPIK3CGERBB2
SCHEMBL14329327 0.87 EGFR (0.40) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL14329154 0.87 EGFR (0.40) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL14329331 0.87 EGFR (0.40) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL14329213 0.87 EGFR (0.40) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL13064803 0.86 EGFR (0.40) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL4569422 0.86 PIK3R2 (0.47) PIK3CDPIK3R2EGFRPIK3CG
SCHEMBL14329122 0.85 EGFR (0.42) PIK3CDPIK3R2EGFRPIK3CGGPR119
SCHEMBL14329157 0.82 KRAS (0.40) PIK3CDEGFR

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.