SCHEMBL2164541

SCHEMBL2164541

FCCc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
MAPK8 P45983 1/20 0.38
FLT3 P36888 2/20 0.37
PPARG P37231 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
PTPN1 P18031 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
RAD51 Q06609 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDR P35968 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34

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
SCHEMBL2164545 0.82 KDM4E (0.49) KDM4EHPGDRAD51ADORA3GAA
SCHEMBL22906838 0.81 KDR (0.50) ALKFLT3KDM4EHPGDPTPN1
SCHEMBL12403724 0.81 RAD51 (0.48) ALKRAD51
SCHEMBL22906841 0.79 FLT3 (0.52) ALKFLT3KDM4EHPGDPTPN1
SCHEMBL2164369 0.77 KDM4E (0.37) PPARGKDM4EHPGDGAAALDH1A1
SCHEMBL2162897 0.76 ALDH1A1 (0.52) ALKFLT3KDM4EHPGDKDR
SCHEMBL27097328 0.76 CASR (0.44) ALKFLT3KDM4EHPGDPTPN1
SCHEMBL12324160 0.75 FLT3 (0.42) ALKFLT3KDM4EHPGDCYP11B2
SCHEMBL2164371 0.68 MIF (0.37) KDM4EHPGDADORA3GAAALDH1A1
SCHEMBL24553487 0.67 PTPN2 (0.51) ALKKDM4EHPGDPTPN1GAA

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 2 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
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 4738/4885MAPK8 4085/4885FLT3 3289/4885

“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.