SCHEMBL2162641

SCHEMBL2162641

COc1ccc(-c2ccn3c(n2)nc2cc(N)ccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 4/20 0.51
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
ADORA2A P29274 1/20 0.44
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 5/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KPNA2 P52292 1/20 0.40
CDK5 Q00535 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.39
CDK5R1 Q15078 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL2163077 0.93 RAD51 (0.60) RAD51TLR9TLR7ALDH1A1SMN1; SMN2
SCHEMBL2162890 0.90 TLR9 (0.47) RAD51TLR9TLR7ALDH1A1SMN1; SMN2
SCHEMBL2164626 0.85 RAD51 (0.48) RAD51TLR9TLR7ALDH1A1SMN1; SMN2
SCHEMBL2163616 0.82 RAD51 (0.55) RAD51ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2162709 0.82 ADORA2A (0.56) ALDH1A1SMN1; SMN2MAPTADORA2AKDM4E
SCHEMBL12403830 0.81 MAPT (0.45) RAD51SMN1; SMN2MAPTADORA2AKDM4E
SCHEMBL2163050 0.78 RAD51 (0.57) RAD51ADORA2AKDM4ENPC1RAB9A
SCHEMBL2163017 0.78 MEN1 (0.45) RAD51ALDH1A1SMN1; SMN2MAPTADORA2A
SCHEMBL2162701 0.78 RAD51 (0.64) RAD51MAPTRAB9A
SCHEMBL2164399 0.77 ALDH1A1 (0.42) RAD51TLR9TLR7ALDH1A1SMN1; 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 RAD51 1902/4885TLR9 4824/4885TLR7 4767/4885

“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.