SCHEMBL21758484

SCHEMBL21758484

N#Cc1ccc(-c2cnccc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.42
CYP11B2 P19099 6/20 0.39
CYP11B1 P15538 4/20 0.39
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP19A1 P11511 2/20 0.35
SLC22A12 Q96S37 5/20 0.35
KDM1A O60341 1/20 0.34
CYP17A1 P05093 1/20 0.33
CDC7 O00311 1/20 0.33
ABCC9 O60706 1/20 0.32
FLT3 P36888 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 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
SCHEMBL21758474 0.94 CHUK (0.38) CHUKCYP11B2CYP11B1GSK3AGSK3B
SCHEMBL21758491 0.92 CHUK (0.43) CHUKCYP11B2CYP11B1GSK3AGSK3B
SCHEMBL21758156 0.91 CYP11B2 (0.41) CHUKCYP11B2CYP11B1GSK3AGSK3B
SCHEMBL21758489 0.91 CYP11B2 (0.41) CHUKCYP11B2CYP11B1CYP19A1SLC22A12
SCHEMBL21396782 0.90 CYP11B2 (0.38) CHUKCYP11B2CYP11B1GSK3AGSK3B
SCHEMBL21758704 0.89 SLC22A12 (0.38) CHUKCYP11B2CYP11B1GSK3BCYP19A1
SCHEMBL21758160 0.89 CYP11B2 (0.39) CHUKCYP11B2CYP11B1SLC22A12CYP17A1
SCHEMBL23255424 0.88 CYP3A4 (0.38) CHUKCYP11B2CYP11B1GSK3AGSK3B
SCHEMBL21758479 0.88 NEK1 (0.42) CYP11B2CYP11B1SLC22A12CYP17A1FLT3
SCHEMBL21758482 0.88 CYP11B2 (0.41) CHUKCYP11B2CYP11B1GSK3AGSK3B

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 CHUK 1699/4885CYP11B2 1243/4885CYP11B1 1224/4885

“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.