SCHEMBL21758593

SCHEMBL21758593

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP19A1 P11511 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
ABL1 P00519 1/20 0.30
CDC7 O00311 1/20 0.30
PIM1 P11309 1/20 0.30
CDK9 P50750 1/20 0.30
NEK1 Q96PY6 1/20 0.30

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
SCHEMBL21758586 0.95 CYP11B1 (0.33) CYP11B2CYP11B1CYP19A1NR3C1PGR
SCHEMBL21758627 0.93 PGR (0.37) CYP11B2CYP11B1CYP19A1PGR
SCHEMBL21758259 0.92 NEK1 (0.39) CYP11B2CYP11B1NEK1
SCHEMBL21758588 0.92 CYP11B2 (0.32) CYP11B2CYP11B1CYP19A1NR3C1CDC7
SCHEMBL21758245 0.88 ALDH1A1 (0.39) CYP11B2CYP11B1CYP19A1NR3C1CDK9
SCHEMBL21758629 0.88 NEK1 (0.37) CYP11B2CYP11B1NEK1
SCHEMBL21758622 0.88 SLC22A12 (0.37) CYP11B2CYP11B1CYP19A1NR3C1PGR
SCHEMBL21758557 0.88 CHUK (0.40) CYP11B2CYP11B1CYP19A1
SCHEMBL21758623 0.88 CYP11B1 (0.38) CYP11B2CYP11B1CYP19A1NR3C1
SCHEMBL21132050 0.87 PGR (0.36) CYP11B2CYP11B1NR3C1PGR

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 1224/4885CYP19A1 2762/4885

“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.