SCHEMBL2162709

SCHEMBL2162709

COc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ALDH1A1 P00352 11/20 0.52
KDM4E B2RXH2 11/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 4/20 0.52
FLT3 P36888 2/20 0.52
TP53 P04637 3/20 0.48
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
CNR2 P34972 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL31307040 0.88 ADORA2A (0.46) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL12470391 0.86 ADORA2A (0.41) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2163735 0.85 ADORA2A (0.59) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL31307039 0.85 NPC1 (0.52) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29892431 0.84 KDM4E (0.49) ADORA2AALDH1A1KDM4ERAB9AMAPT
SCHEMBL12402975 0.83 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2162890 0.82 TLR9 (0.47) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2162641 0.82 RAD51 (0.51) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2163042 0.81 ADORA2A (0.53) ADORA2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL484156 0.81 RAD51 (0.56) ADORA2AALDH1A1KDM4ESMN1; SMN2NPC1

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 ADORA2A 2118/4885ALDH1A1 3926/4885KDM4E 4835/4885

“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.