SCHEMBL2163138

SCHEMBL2163138

COc1ccc2nc3cc(N4CCC(O)CC4)ccn3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SUV39H2 Q9H5I1 3/20 0.45
TLR9 Q9NR96 12/20 0.43
TLR7 Q9NYK1 11/20 0.43
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NTSR1 P30989 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NPM1 P06748 1/20 0.38

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
SCHEMBL2162822 0.90 TLR9 (0.42) TLR9TLR7NPM1ALK
SCHEMBL22972835 0.90 TLR9 (0.42) TLR9TLR7NPM1ALK
SCHEMBL12323631 0.89 TLR9 (0.41) TLR9TLR7NPM1ALK
SCHEMBL2162653 0.85 TLR9 (0.38) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL2162454 0.84 TLR9 (0.40) SUV39H2TLR9TLR7
SCHEMBL22972838 0.84 TLR9 (0.40) SUV39H2TLR9TLR7
SCHEMBL2163144 0.76 MEN1 (0.43) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL2163296 0.73 ALK (0.60) KDM4EALDH1A1POLBMAPTNPM1
SCHEMBL2162795 0.73 ALK (0.38) KDM4EMEN1ALDH1A1KMT2AUSP2
SCHEMBL12324172 0.72 ALK (0.59) KDM4EMEN1ALDH1A1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 KDM4E 4835/4885MEN1 335/4885ALDH1A1 3926/4885

“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.