SCHEMBL21758596

SCHEMBL21758596

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.37
CYP11B1 P15538 2/20 0.37
CYP17A1 P05093 1/20 0.37
PTGER4 P35408 2/20 0.36
FLT3 P36888 4/20 0.34
NEK1 Q96PY6 1/20 0.34
SLC22A12 Q96S37 3/20 0.34
METAP2 P50579 1/20 0.33
NPY5R Q15761 1/20 0.33
CHUK O15111 1/20 0.32
PGR P06401 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
SCHEMBL21758607 0.94 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1FLT3NEK1
SCHEMBL21758164 0.94 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758186 0.94 NEK1 (0.41) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758501 0.94 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758169 0.93 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758175 0.93 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758496 0.90 CHUK (0.39) CYP11B2CYP11B1CYP17A1PTGER4SLC22A12
SCHEMBL21396781 0.90 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1PTGER4SLC22A12
SCHEMBL21758495 0.90 CYP11B2 (0.41) CYP11B2CYP11B1CYP17A1PTGER4FLT3
SCHEMBL21758173 0.89 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1FLT3NEK1

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 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.