SCHEMBL21396963

SCHEMBL21396963

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3cnccc3-n3c4ccccc4c4ccccc43)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
GSK3B P49841 3/20 0.35
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
DYRK1A Q13627 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CYP17A1 P05093 1/20 0.34
CHUK O15111 1/20 0.34
EGFR P00533 2/20 0.33
PTGER4 P35408 1/20 0.33
CYP19A1 P11511 1/20 0.33
SCN9A Q15858 1/20 0.33
TDP2 O95551 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
IDO1 P14902 1/20 0.33
ROCK2 O75116 1/20 0.32
GSK3A P49840 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 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
SCHEMBL21396962 0.92 CDK4 (0.35) CYP11B1CYP11B2GSK3BCDK4CDK2
SCHEMBL21397147 0.92 CYP11B1 (0.36) CYP11B1CYP11B2GSK3BCDK4CDK2
SCHEMBL21396781 0.88 CYP11B2 (0.39) CYP11B1CYP11B2GSK3BNCOA3CYP17A1
SCHEMBL21758496 0.86 CHUK (0.39) CYP11B1CYP11B2GSK3BNCOA3CYP17A1
SCHEMBL21396720 0.85 CYP11B2 (0.40) CYP11B1CYP11B2CYP17A1CHUKCYP19A1
SCHEMBL21396906 0.84 CYP11B2 (0.36) CYP11B1CYP11B2GSK3BNCOA3CYP17A1
SCHEMBL21397146 0.84 CDK4 (0.35) CYP11B1CYP11B2GSK3BCDK4CDK2
SCHEMBL21397023 0.82 GRM5 (0.34) GSK3BCDK4CDK2DYRK1AEGFR
SCHEMBL21396782 0.82 CYP11B2 (0.38) CYP11B1CYP11B2GSK3BNCOA3CYP17A1
SCHEMBL21396776 0.82 CHUK (0.37) CYP11B1CYP11B2NCOA3CYP17A1CHUK

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B1 1877/4885CYP11B2 1859/4885GSK3B 4325/4885

“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.