SCHEMBL243488

SCHEMBL243488

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.48
ULK1 O75385 1/20 0.45
NAPEPLD Q6IQ20 2/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PTK2 Q05397 2/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
PTK2B Q14289 1/20 0.42
PKMYT1 Q99640 1/20 0.42
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL245755 0.84 MAPT (0.46) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL245694 0.83 KMO (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ACYP1A2
SCHEMBL241043 0.78 PIK3CB (0.57) PIK3CBNAPEPLDMAPTSMN1; SMN2RAB9A
SCHEMBL3996473 0.77 MAPT (0.56) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL18135106 0.77 CTSA (0.56) PIK3CBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL21166297 0.74 RAB9A (0.48) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL18595213 0.73 MAPT (0.49) PIK3CBMAPTSMN1; SMN2KMT2ACYP1A2
SCHEMBL7016486 0.73 MEN1 (0.51) PIK3CBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL16950261 0.71 KMO (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL1309176 0.71 MAPT (0.63) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A

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-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
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
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 PIK3CB 44/4885ULK1 979/4885NAPEPLD 127/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CB 40/4885ULK1 954/4885NAPEPLD 139/4885

“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.