SCHEMBL22157141

SCHEMBL22157141

N#Cc1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)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
ABCG2 Q9UNQ0 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAP4K1 Q92918 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL22156901 0.97 CYP11B1 (0.35) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A
SCHEMBL22156400 0.93 CYP11B1 (0.36) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A
SCHEMBL22157140 0.91 CYP11B1 (0.36) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A
SCHEMBL22156399 0.91 CYP11B1 (0.35) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A
SCHEMBL22156894 0.91 CYP11B1 (0.35) CYP11B1CYP11B2ABCG2ALDH1A1LMNA
SCHEMBL22156567 0.90 ALDH1A1 (0.36) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A
SCHEMBL22158519 0.88 CYP11B1 (0.45) CYP11B1CYP11B2SMN1; SMN2HIF1ACYP1A2
SCHEMBL22157151 0.88 CYP11B1 (0.38) CYP11B1CYP11B2SMN1; SMN2HIF1AMAP4K1
SCHEMBL22156569 0.88 CLK4 (0.37) CYP11B1CYP11B2CLK4MAP4K1GABRA1
SCHEMBL22156566 0.87 ALDH1A1 (0.34) CYP11B1CYP11B2ABCG2SMN1; SMN2HIF1A

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 531/4885ABCG2 1075/4885

“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.