SCHEMBL22016727

SCHEMBL22016727

N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(-c5cccnc5)cc4c4cc(-c5cccnc5)ccc43)c2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.52
CYP11B1 P15538 7/20 0.49
CYP17A1 P05093 2/20 0.49
FLT3 P36888 2/20 0.44
NPY5R Q15761 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
AR P10275 1/20 0.39
NEK1 Q96PY6 1/20 0.38
CYP19A1 P11511 2/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL22454896 0.92 CYP11B2 (0.55) CYP11B2CYP11B1CYP17A1FLT3NPY5R
SCHEMBL23343977 0.89 CYP11B2 (0.48) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL22016998 0.87 PTGER4 (0.39) AR
SCHEMBL22017018 0.87 PTGER4 (0.39) AR
SCHEMBL22016999 0.87 PTGER4 (0.39) AR
SCHEMBL22454887 0.87 PTGER4 (0.39) AR
SCHEMBL22454880 0.87 PTGER4 (0.39) AR
SCHEMBL23344064 0.87 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1FLT3NPY5R
SCHEMBL23344041 0.86 CYP11B2 (0.52) CYP11B2CYP11B1CYP17A1FLT3CYP19A1
SCHEMBL23296336 0.85 CYP11B2 (0.46) CYP11B2CYP11B1CYP17A1NPY5RMAOA

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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-21 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-20200161562-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, CELF2, L1CAM CYP11B2 2625/4885CYP11B1 3110/4885CYP17A1 4215/4885

“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.