SCHEMBL2162800

SCHEMBL2162800

COc1ccc2nc3ccc(N4CCC(Br)CC4)cc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
NPM1 P06748 1/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
APP P05067 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPG P10696 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ABL1 P00519 2/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2162795 0.91 ALK (0.38) ALKNPM1MAPTKDM4EL3MBTL1
SCHEMBL12323631 0.82 TLR9 (0.41) ALKNPM1TLR9TLR7
SCHEMBL2163144 0.81 MEN1 (0.43) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL2162659 0.75 KMT2A (0.37) MAPTMEN1GAAKMT2AHTR1A
SCHEMBL2162822 0.71 TLR9 (0.42) ALKNPM1TLR9TLR7
SCHEMBL22972835 0.71 TLR9 (0.42) ALKNPM1TLR9TLR7
SCHEMBL2163138 0.70 KDM4E (0.47) ALKNPM1MAPTKDM4EALDH1A1
SCHEMBL24554001 0.67 NPM1 (0.49) ALKNPM1MAPTKDM4EALDH1A1
SCHEMBL29408374 0.67 CYP11B1 (0.48) ALKNPM1MAPTKDM4EALDH1A1
SCHEMBL29671894 0.67 NPM1 (0.49) ALKNPM1MAPTKDM4EALDH1A1

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 2 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
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 ALK 4738/4885NPM1 1761/4885MAPT 1/4885

“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.