SCHEMBL2163017

SCHEMBL2163017

COc1ccc2c(c1)nc1nc(-c3ccc([N+](=O)[O-])cc3)ccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
ADORA2A P29274 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PSD A5PKW4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAD51 Q06609 5/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL12403865 0.85 MMP2 (0.47) MEN1KMT2APIK3CAPIK3CBPIK3CG
SCHEMBL2163258 0.83 RAD51 (0.61) MEN1KMT2AADORA2AMAPTSMN1; SMN2
SCHEMBL2163077 0.82 RAD51 (0.60) MEN1KMT2AADORA2AMAPTSMN1; SMN2
SCHEMBL484211 0.80 ADORA2A (0.58) MEN1KMT2AADORA2AMAPTSMN1; SMN2
SCHEMBL2162641 0.78 RAD51 (0.51) ADORA2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20816314 0.78 RAD51 (0.71) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12323589 0.75 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2162709 0.74 ADORA2A (0.56) ADORA2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2164626 0.73 RAD51 (0.48) MEN1KMT2AADORA2AMAPTSMN1; SMN2
SCHEMBL23253339 0.73 TDP1 (0.49) MEN1KMT2APIK3CASMN1; SMN2ALDH1A1

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 7 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

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 MEN1 335/4885KMT2A 4784/4885PIK3CA 4039/4885

“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.