SCHEMBL2163701

SCHEMBL2163701

BrCCOc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
DRD3 P35462 8/20 0.42
TP53 P04637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.38
PIN1 Q13526 1/20 0.38
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
PDE6D O43924 1/20 0.37

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
SCHEMBL2162673 0.88 RAD51 (0.46) DRD2DRD3TP53ALDH1A1LMNA
SCHEMBL12402975 0.88 SMN1; SMN2 (0.50) DRD2DRD3TP53ALDH1A1LMNA
SCHEMBL31307039 0.85 NPC1 (0.52) DRD2DRD3TP53ALDH1A1LMNA
SCHEMBL12470391 0.83 ADORA2A (0.41) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL2162709 0.81 ADORA2A (0.56) TP53ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL29892431 0.78 KDM4E (0.49) TP53ALDH1A1LMNARAB9AMAPT
SCHEMBL12323630 0.76 ALDH1A1 (0.43) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL2163042 0.76 ADORA2A (0.53) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL484156 0.76 RAD51 (0.56) TP53ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31307038 0.76 RAB9A (0.44) TP53ALDH1A1LMNARAB9ASMN1; SMN2

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 6 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-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 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
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US 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 DRD2 4005/4885DRD3 4010/4885TP53 2096/4885

“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.