SCHEMBL2162795

SCHEMBL2162795

COc1ccc2nc3ccc(N4CCC(Br)CC4)cn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.38
NPM1 P06748 1/20 0.38
APP P05067 5/20 0.38
ALPG P10696 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2162800 0.91 ALK (0.38) ALKNPM1APPALPGHRH3
SCHEMBL12323631 0.84 TLR9 (0.41) ALKNPM1PIK3CDPIK3CAPIK3CB
SCHEMBL22972835 0.74 TLR9 (0.42) ALKNPM1PIK3CDPIK3CAPIK3CB
SCHEMBL2163144 0.74 MEN1 (0.43) ALPGHRH3KMT2AMAPTKDM4E
SCHEMBL2162822 0.74 TLR9 (0.42) ALKNPM1PIK3CDPIK3CAPIK3CB
SCHEMBL2163138 0.73 KDM4E (0.47) ALKNPM1KMT2AMAPTKDM4E
SCHEMBL29408374 0.72 CYP11B1 (0.48) ALKNPM1APPALPGPIK3CD
SCHEMBL2162659 0.69 KMT2A (0.37) ALPGKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL22972838 0.69 TLR9 (0.40)
SCHEMBL2162454 0.69 TLR9 (0.40)

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 1761/4885APP 2/4885

“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.