SCHEMBL2163296

SCHEMBL2163296

COc1ccc2nc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.60
NPM1 P06748 2/20 0.51
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48
MAPKAPK2 P49137 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
ACVR1 Q04771 7/20 0.46
KDM1A O60341 2/20 0.45
FYN P06241 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
APP P05067 1/20 0.43
LCK P06239 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.43
MAP4K1 Q92918 1/20 0.43

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
SCHEMBL12324157 0.86 ALK (0.48) ALKNPM1MAPKAPK2ALDH1A1MAPT
SCHEMBL12403911 0.84 ALK (0.53) ALKNPM1KDM4EALDH1A1ACVR1
SCHEMBL2162634 0.75 NPM1 (0.47) ALKNPM1KDM4EALDH1A1MAPT
SCHEMBL22972835 0.74 TLR9 (0.42) ALKNPM1
SCHEMBL2163926 0.74 ALK (0.49) ALKNPM1KDM4EALDH1A1MAPT
SCHEMBL2162822 0.74 TLR9 (0.42) ALKNPM1
SCHEMBL2163015 0.74 ALK (0.46) ALKNPM1KDM4EALDH1A1MAPT
SCHEMBL2162897 0.74 ALDH1A1 (0.52) ALKNPM1KDM4EALDH1A1MAPT
SCHEMBL2164515 0.74 DGAT1 (0.42) ALKNPM1ACVR1
SCHEMBL12323631 0.73 TLR9 (0.41) ALKNPM1

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 5 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
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 ALK 4738/4885NPM1 1761/4885DNMT1 4880/4885

“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.