SCHEMBL21758600

SCHEMBL21758600

N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccncc2-c2cc(C#N)ccc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 2/20 0.39
CYP17A1 P05093 1/20 0.34
CHUK O15111 1/20 0.34
SLC22A12 Q96S37 4/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
FLT3 P36888 4/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
LRRK2 Q5S007 2/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL21758606 0.95 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1SLC22A12GSK3A
SCHEMBL21758162 0.93 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758167 0.92 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758503 0.91 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758157 0.89 SLC22A12 (0.35) CYP11B2CYP11B1CYP17A1SLC22A12GSK3A
SCHEMBL21758607 0.88 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758499 0.88 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758170 0.87 PTGER4 (0.34) CYP11B2CYP11B1CYP17A1CHUKSLC22A12
SCHEMBL21758185 0.87 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CHUK
SCHEMBL21758491 0.87 CHUK (0.43) CYP11B2CYP11B1CYP17A1CHUKSLC22A12

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP11B2 1243/4885CYP11B1 1224/4885CYP17A1 1803/4885

“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.