SCHEMBL9280753

SCHEMBL9280753

CCN(CC)C(=O)c1cc(Br)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
PLAU P00749 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GFER P55789 1/20 0.43
HTT P42858 1/20 0.43
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42

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
SCHEMBL10082156 0.81 USP2 (0.57) USP2L3MBTL1NPSR1NPC1ALDH1A1
SCHEMBL20110921 0.81 HSP90AA1 (0.58) MAPTL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL471624 0.81 USP2 (0.54) USP2MAPTL3MBTL1NPSR1NPC1
SCHEMBL1995344 0.81 HSP90AA1 (0.62) KDM4EUSP2MAPTL3MBTL1NPSR1
SCHEMBL1516638 0.81 ALDH1A1 (0.64) KDM4EGLAMAPTPOLBPLAU
SCHEMBL10672896 0.80 KDM4E (0.49) KDM4EGLAUSP2MAPTPOLB
SCHEMBL1988646 0.80 KDM4E (0.51) KDM4EGLAUSP2MAPTPOLB
SCHEMBL14009083 0.79 USP2 (0.51) USP2MAPTL3MBTL1NPSR1NPC1
SCHEMBL30532360 0.79 USP2 (0.51) USP2L3MBTL1NPSR1NPC1ALDH1A1
SCHEMBL14052325 0.79 USP2 (0.55) USP2MAPTL3MBTL1NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B KDM4E 1700/4885GLA 2835/4885USP2 4508/4885

“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.