SCHEMBL248879

SCHEMBL248879

Nc1cc(N2CCOCC2)ncc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
PIK3CA P42336 8/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 2/20 0.36
MTOR P42345 5/20 0.36
AKT1 P31749 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AKR1C3 P42330 1/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35
CNR2 P34972 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
SCHEMBL252383 0.85 BTK (0.47) PIK3CAMTORAKT1
SCHEMBL3406466 0.76 PIK3CA (0.37) KMOPIK3CAALDH1A1POLBCYP1A2
SCHEMBL14840567 0.75 PIK3CA (0.39) KMOPIK3CAALDH1A1CYP1A2MAPT
SCHEMBL14840566 0.75 MTOR (0.42) PIK3CAALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL12505852 0.74 ATR (0.48) PIK3CAALDH1A1POLBCYP1A2MAPT
SCHEMBL247784 0.74 PIK3CA (0.38) PIK3CAALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL18129587 0.73 MAP4K1 (0.56) PIK3CACNR2
SCHEMBL28619667 0.72 LRRK2 (0.46) KMOALDH1A1CYP2C19NPC1ATM
SCHEMBL1937547 0.72 GABRP (0.46) PIK3CAALDH1A1MAPTMTOR
SCHEMBL247715 0.71 KMO (0.43) KMOPIK3CAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KMO 169/4885PIK3CA 28/4885ALDH1A1 3735/4885

“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.