SCHEMBL21758622

SCHEMBL21758622

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.37
CYP11B2 P19099 3/20 0.35
NPY5R Q15761 1/20 0.35
PGR P06401 1/20 0.34
CYP11B1 P15538 2/20 0.33
PTGER4 P35408 1/20 0.33
CYP19A1 P11511 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
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

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
SCHEMBL21758627 0.95 PGR (0.37) SLC22A12CYP11B2PGRCYP11B1CYP19A1
SCHEMBL21758256 0.94 ALDH1A1 (0.37) SLC22A12CYP11B2NPY5RCYP11B1CYP19A1
SCHEMBL21758586 0.93 CYP11B1 (0.33) SLC22A12CYP11B2NPY5RPGRCYP11B1
SCHEMBL21758629 0.93 NEK1 (0.37) SLC22A12CYP11B2CYP11B1
SCHEMBL21758559 0.92 SLC22A12 (0.37) SLC22A12PTGER4CYP19A1TNKS2NCOA3
SCHEMBL21758585 0.92 SLC22A12 (0.35) SLC22A12CYP11B2NPY5RCYP11B1PTGER4
SCHEMBL21758599 0.91 NPY5R (0.34) SLC22A12CYP11B2NPY5RCYP11B1NCOA3
SCHEMBL21758589 0.91 CYP11B1 (0.33) SLC22A12CYP11B2NPY5RCYP11B1CYP19A1
SCHEMBL21758245 0.91 ALDH1A1 (0.39) SLC22A12CYP11B2CYP11B1CYP19A1NCOA3
SCHEMBL21758621 0.90 NR3C1 (0.41) CYP11B2NPY5RCYP11B1NCOA3CDK5

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 SLC22A12 2205/4885CYP11B2 1243/4885NPY5R 189/4885

“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.