SCHEMBL2718326

SCHEMBL2718326

Cc1cc(F)cc2c(-c3ccccn3)c(C(C)N[S+]([O-])C(C)(C)C)cnc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.33
GPR39 O43194 1/20 0.32
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL2722154 0.90 TNF (0.38) PIK3CDPIK3CAPIK3CBPIK3CGTNF
SCHEMBL4093847 0.80 NPC1 (0.37) GPR39KDM4EKMT2AGRM5HPGDS
SCHEMBL2718744 0.79 GRM5 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL10199790 0.79 GRM5 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL4104549 0.79 PIK3CD (0.39) PIK3CDTNFKMT2A
SCHEMBL4097964 0.74 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2718021 0.71 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22975128 0.71 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL19344365 0.71 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL20061346 0.71 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CG

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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 US disclosed
EP-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO 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 (1 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-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 PIK3CD 1672/4885GPR39 767/4885PIK3CA 1430/4885

“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.