SCHEMBL12470617

SCHEMBL12470617

FCCCc1ccn2c(n1)nc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
CXCR4 P61073 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR3E A5X5Y0 3/20 0.34
HTR3B O95264 3/20 0.34
HTR3A P46098 3/20 0.34
HTR3D Q70Z44 3/20 0.34
HTR3C Q8WXA8 3/20 0.34
PDE10A Q9Y233 2/20 0.34
LCK P06239 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12471091 0.85 MEN1 (0.42) PTPN1PTPN2CXCR4ADORA2AADORA1
SCHEMBL2170258 0.84 TLR8 (0.47) MAPTALDH1A1LCKTLR7TLR8
SCHEMBL31653854 0.78 PTPN1 (0.45) PTPN1PTPN2ADORA2AADORA1MAPT
SCHEMBL12403793 0.77 TP53 (0.37) PTPN1PTPN2CXCR4MAPTALDH1A1
SCHEMBL12324268 0.75 APP (0.40) PTPN1PTPN2CXCR4ALDH1A1TLR8
SCHEMBL12403800 0.74 ALDH1A1 (0.34) PTPN1PTPN2CXCR4MAPTALDH1A1
SCHEMBL2164490 0.72 MAPK8 (0.37) PTPN1PTPN2ALDH1A1NPSR1LCK
SCHEMBL484125 0.71 APP (0.46) ADORA2AMAPTALDH1A1KDM4ERAD51
SCHEMBL12323637 0.71 TOP2A (0.37) MAPTALDH1A1NPSR1LCKKDM4E
SCHEMBL12323634 0.70 APP (0.51) ADORA2AADORA1MAPTALDH1A1NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 4822/4885PTPN2 4809/4885CXCR4 3151/4885

“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.