SCHEMBL22158302

SCHEMBL22158302

N#Cc1cc(-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)c(F)c(F)c(F)c2F)cc1-n1c2ccc(-c3ncccn3)cc2c2cc(-c3ncccn3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.35
CYP11B2 P19099 3/20 0.34
ADORA2B P29275 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1B P28222 1/20 0.33
DRD3 P35462 1/20 0.33
CYP11B1 P15538 2/20 0.33
NR3C1 P04150 1/20 0.32
XDH P47989 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL22156388 0.97 CYP11B2 (0.33) CLK4CYP11B2ADORA2BHTR1ADRD4
SCHEMBL22157196 0.92 CLK4 (0.35) CLK4CYP11B2ADORA2BHTR1ADRD4
SCHEMBL22156391 0.91 CLK4 (0.35) CLK4CYP11B2ADORA2BCYP11B1SQOR
SCHEMBL22156387 0.90 CYP11B2 (0.33) CLK4CYP11B2ADORA2BCYP11B1NR3C1
SCHEMBL22157019 0.90 CYP11B2 (0.33) CLK4CYP11B2ADORA2BHTR1ADRD4
SCHEMBL22158220 0.90 CLK4 (0.36) CLK4CYP11B2HTR1ADRD4HTR1B
SCHEMBL22156792 0.88 CYP11B1 (0.34) CLK4CYP11B2CYP11B1NR3C1SQOR
SCHEMBL22156406 0.87 CYP11B2 (0.35) CLK4CYP11B2ADORA2BHTR1ADRD4
SCHEMBL22156418 0.87 SSTR2 (0.36) CLK4CYP11B2HTR1ADRD4HTR1B
SCHEMBL22156676 0.85 CYP11B1 (0.37) CYP11B2CYP11B1NR3C1SQOR

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 CLK4 3423/4885CYP11B2 531/4885ADORA2B 3901/4885

“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.