SCHEMBL22157140

SCHEMBL22157140

N#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CNR2 P34972 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SSTR2 P30874 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NR3C1 P04150 1/20 0.33
GABRA1 P14867 1/20 0.32

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
SCHEMBL22156894 0.97 CYP11B1 (0.35) CYP11B1CYP11B2CNR2ABCG2SSTR2
SCHEMBL22156411 0.93 CYP11B1 (0.36) CYP11B1CYP11B2CNR2ABCG2SSTR2
SCHEMBL22157141 0.91 CYP11B1 (0.36) CYP11B1CYP11B2CNR2ABCG2MEN1
SCHEMBL22156895 0.91 CYP11B1 (0.40) CYP11B1CYP11B2CNR2MAP4K1NR3C1
SCHEMBL22156398 0.91 CYP11B1 (0.35) CYP11B1CYP11B2CNR2ABCG2SSTR2
SCHEMBL22156901 0.91 CYP11B1 (0.35) CYP11B1CYP11B2CNR2ABCG2MEN1
SCHEMBL22157030 0.90 CYP11B1 (0.34) CYP11B1CYP11B2CNR2ABCG2SSTR2
SCHEMBL22157152 0.88 CYP11B1 (0.38) CYP11B1CYP11B2CNR2MAP4K1NR3C1
SCHEMBL22156568 0.88 CLK4 (0.37) CYP11B1CYP11B2CNR2SSTR2CLK4
SCHEMBL19942611 0.87 ALDH1A1 (0.35) ABCG2MEN1KMT2AALDH1A1LMNA

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 CYP11B1 827/4885CYP11B2 531/4885CNR2 1715/4885

“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.