SCHEMBL2162890

SCHEMBL2162890

COc1ccc(-c2ccn3c(n2)nc2ccc(N)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
NPM1 P06748 1/20 0.46
ALK Q9UM73 1/20 0.46
ADORA2A P29274 1/20 0.44
RAD51 Q06609 1/20 0.43
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
DYRK1A Q13627 1/20 0.42
FLT3 P36888 2/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL2164626 0.93 RAD51 (0.48) TLR9TLR7NPM1ALKADORA2A
SCHEMBL2162641 0.90 RAD51 (0.51) TLR9TLR7NPM1ALKADORA2A
SCHEMBL2163077 0.85 RAD51 (0.60) TLR9TLR7ADORA2ARAD51ALDH1A1
SCHEMBL12402969 0.85 RAD51 (0.47) RAD51ALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL2164542 0.82 MAPT (0.55) RAD51SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2162709 0.82 ADORA2A (0.56) ADORA2AALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL12403839 0.81 MAPT (0.42) ADORA2ARAD51ALDH1A1SMN1; SMN2NPC1
SCHEMBL2162700 0.81 RAD51 (0.50) TLR9TLR7NPM1ALKRAD51
SCHEMBL12402961 0.77 NPM1 (0.41) NPM1ALKALDH1A1NPC1HPGD
SCHEMBL2162678 0.77 TLR9 (0.40) TLR9TLR7NPM1ALKALDH1A1

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 8 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
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO 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 TLR9 4824/4885TLR7 4767/4885NPM1 1761/4885

“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.