SCHEMBL21758481

SCHEMBL21758481

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
SLC22A12 Q96S37 4/20 0.36
STS P08842 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PTGER4 P35408 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
FLT3 P36888 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP17A1 P05093 1/20 0.33
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL21758478 0.95 PDE10A (0.38) CYP11B1CYP11B2SLC22A12PTGER4NCOA3
SCHEMBL21758502 0.95 CYP11B2 (0.38) CYP11B1CYP11B2SLC22A12STSPRMT5
SCHEMBL21758482 0.95 CYP11B2 (0.41) CYP11B1CYP11B2SLC22A12STSPRMT5
SCHEMBL21758157 0.93 SLC22A12 (0.35) CYP11B1CYP11B2SLC22A12PTGER4NCOA3
SCHEMBL21758317 0.93 CYP11B2 (0.36) CYP11B1CYP11B2SLC22A12STSPRMT5
SCHEMBL21758480 0.92 CYP11B1 (0.39) CYP11B1CYP11B2SLC22A12PDE10ACYP17A1
SCHEMBL20613831 0.91 CYP11B2 (0.35) CYP11B1CYP11B2SLC22A12PRMT5WDR77
SCHEMBL21758488 0.91 CYP11B2 (0.39) CYP11B1CYP11B2SLC22A12PTGER4FLT3
SCHEMBL21758708 0.90 CYP11B2 (0.39) CYP11B1CYP11B2SLC22A12PTGER4FLT3
SCHEMBL21758474 0.90 CHUK (0.38) CYP11B1CYP11B2SLC22A12PTGER4NCOA3

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 CYP11B1 1224/4885CYP11B2 1243/4885SLC22A12 2205/4885

“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.