SCHEMBL244434

SCHEMBL244434

CC(=O)Nc1cc(N)nc(N2CCOCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADORA1 P30542 6/20 0.56
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PIK3CA P42336 4/20 0.52
PIK3R1 P27986 2/20 0.52
MTOR P42345 2/20 0.52
MAPT P10636 1/20 0.46
SRC P12931 1/20 0.46
HTT P42858 1/20 0.46
GLA P06280 1/20 0.45
KCNH2 Q12809 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL16840722 0.81 ALDH1A1 (0.70) ALDH1A1GAAKDM4EMEN1THRB
SCHEMBL10327811 0.81 PIK3CA (0.69) PIK3CAPIK3R1MTOR
SCHEMBL243583 0.78 PIK3CA (0.43) ALDH1A1GAAKDM4EMEN1THRB
SCHEMBL1458406 0.77 PIK3CA (0.54) ALDH1A1GAAKDM4EKMT2APIK3CA
SCHEMBL14803578 0.74 ADORA2A (0.47) ADORA2AADORA1ALDH1A1GAAKDM4E
SCHEMBL23299959 0.74 ADORA2A (0.63) ADORA2AADORA1ALDH1A1GAAKDM4E
SCHEMBL3282342 0.74 SRC (0.47) ALDH1A1GAAKDM4EMEN1THRB
SCHEMBL18060896 0.73 KCNQ3 (0.48) ADORA2AADORA1ALDH1A1GAAKDM4E
SCHEMBL11898909 0.73 KMT2A (0.68) ALDH1A1MEN1KMT2APIK3CAPIK3R1
SCHEMBL245060 0.73 SRC (0.46) ADORA2AADORA1ALDH1A1GAAKDM4E

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 ADORA2A 1510/4885ADORA1 3664/4885ALDH1A1 3609/4885

“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.