SCHEMBL245755

SCHEMBL245755

COC(=O)c1cc(N2CCOCC2)cc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPK1 P28482 1/20 0.42
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PLCG1 P19174 1/20 0.41
GALK1 P51570 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
SCHEMBL7016486 0.90 MEN1 (0.51) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL25136437 0.87 SMN1; SMN2 (0.39) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11926409 0.84 ALDH1A1 (0.49) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL243488 0.84 PIK3CB (0.48) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL245694 0.83 KMO (0.49) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL593003 0.80 PIK3CB (0.48) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL244072 0.78 PIK3CA (0.47) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL30667961 0.78 RBP4 (0.36) KDM4ELMNA
SCHEMBL29434078 0.78 PIK3CA (0.47) MAPTKMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL26684713 0.78 RBP4 (0.36) KDM4ELMNA

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 12 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
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 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
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
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO 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 (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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MAPT 3389/4885KMT2A 796/4885SMN1; SMN2 982/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MAPT 3420/4885KMT2A 679/4885SMN1; SMN2 909/4885

“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.