SCHEMBL2163379

SCHEMBL2163379

COc1ccc2nc3cc(-c4cccc(F)n4)ccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.46
NPM1 P06748 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A3 P47895 2/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
LCK P06239 1/20 0.37
FLT3 P36888 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2163132 0.80 ALK (0.47) ALKNPM1ALDH1A1MAPTLCK
SCHEMBL2163926 0.79 ALK (0.49) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2162634 0.78 NPM1 (0.47) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2163015 0.77 ALK (0.46) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2164020 0.75 ALK (0.45) ALKNPM1KMT2ALCKFLT3
SCHEMBL2163052 0.74 ALK (0.41) ALKNPM1ALDH1A1KDM4EMEN1
SCHEMBL12324172 0.73 ALK (0.59) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2162897 0.71 ALDH1A1 (0.52) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2163296 0.70 ALK (0.60) ALKNPM1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12323543 0.69 CYP17A1 (0.44) ALKALDH1A1KDM4EMEN1KMT2A

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 ALK 4738/4885NPM1 1761/4885ALDH1A1 3926/4885

“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.