SCHEMBL21758586

SCHEMBL21758586

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
SLC22A12 Q96S37 5/20 0.32
NPY5R Q15761 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CDK5 Q00535 2/20 0.32
DYRK1A Q13627 2/20 0.32
CDK5R1 Q15078 2/20 0.32
NR3C1 P04150 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PDE10A Q9Y233 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL21758593 0.95 CYP11B2 (0.34) CYP11B1CYP11B2NR3C1PGRCYP19A1
SCHEMBL21758629 0.94 NEK1 (0.37) CYP11B1CYP11B2SLC22A12ALDH1A1LMNA
SCHEMBL21758622 0.93 SLC22A12 (0.37) CYP11B1CYP11B2SLC22A12NPY5RNCOA3
SCHEMBL21758589 0.93 CYP11B1 (0.33) CYP11B1CYP11B2SLC22A12NPY5RNCOA3
SCHEMBL21758256 0.91 ALDH1A1 (0.37) CYP11B1CYP11B2SLC22A12NPY5RNCOA3
SCHEMBL21758621 0.89 NR3C1 (0.41) CYP11B1CYP11B2NPY5RNCOA3CDK5
SCHEMBL21758259 0.89 NEK1 (0.39) CYP11B1CYP11B2SLC22A12CLK4ALDH1A1
SCHEMBL21758559 0.89 SLC22A12 (0.37) SLC22A12NCOA3CDK5DYRK1ACDK5R1
SCHEMBL21758551 0.89 NCOA3 (0.38) CYP11B1CYP11B2SLC22A12NCOA3CDK5
SCHEMBL21758554 0.89 NCOA3 (0.38) CYP11B1CYP11B2SLC22A12NCOA3CDK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
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.