SCHEMBL243086

SCHEMBL243086

COc1cncc(-c2cnc(N3CCOCC3)nc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.48
MTOR P42345 7/20 0.48
FYN P06241 1/20 0.47
ATR Q13535 1/20 0.46
ATRIP Q8WXE1 1/20 0.46
PTPN11 Q06124 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
KMT2A Q03164 2/20 0.45
PIK3R1 P27986 4/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL248166 0.80 ATR (0.49) PIK3CAMTORFYNATRATRIP
SCHEMBL10327882 0.77 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10328297 0.76 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL855844 0.76 PIK3CA (0.54) PIK3CAMTORATRATRIPPIK3R1
SCHEMBL10327805 0.75 PIK3CA (0.55) PIK3CAMTORDYRK1APIK3R1PIK3CD
SCHEMBL26646893 0.74 PIK3CA (0.55) PIK3CAMTORPTPN11KMT2APIK3R1
SCHEMBL2713146 0.73 DYRK1A (0.46) PIK3CAFYNATRATRIPCLK1
SCHEMBL855852 0.73 PIK3CA (0.56) PIK3CAMTORATRATRIPPIK3R1
SCHEMBL246004 0.72 PIK3CA (0.45) PIK3CAMTORPTPN11KMT2APIK3R1
SCHEMBL13136652 0.71 CNR2 (0.55) PIK3CAATRATRIPDYRK1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CA 26/4885MTOR 294/4885FYN 401/4885

“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.