SCHEMBL12469898

SCHEMBL12469898

BrOc1cccc(-c2ccn3c(n2)nc2ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 2/20 0.45
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
RAD51 Q06609 2/20 0.38
FLT3 P36888 4/20 0.37
BMX P51813 2/20 0.36
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
F2 P00734 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL2163735 0.87 ADORA2A (0.59) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL12470391 0.85 ADORA2A (0.41) ADORA2AALDH1A1HPGDMAPTKDM4E
SCHEMBL2163569 0.82 RAD51 (0.43) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL29892431 0.80 KDM4E (0.49) ADORA2AALDH1A1HPGDMAPTKDM4E
SCHEMBL31307046 0.80 CSNK2A2 (0.41) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL12403557 0.80 LMNA (0.43) ADORA2AADORA1RAD51LMNARAB9A
SCHEMBL2163058 0.80 RAD51 (0.59) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL31307040 0.79 ADORA2A (0.46) ADORA2AADORA1ALDH1A1HPGDMAPT
SCHEMBL31307043 0.77 ALDH1A1 (0.55) ADORA2AALDH1A1HPGDMAPTKDM4E
SCHEMBL12473148 0.77 ADORA2A (0.39) ADORA2AADORA1ALDH1A1HPGDMAPT

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 ADORA2A 2118/4885ADORA1 962/4885ALDH1A1 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.