SCHEMBL21396735

SCHEMBL21396735

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ccncc3-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.37
CYP11B1 P15538 5/20 0.37
CYP17A1 P05093 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
METAP2 P50579 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL21396734 0.92 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1SLC22A12CHRNB2
SCHEMBL21396720 0.92 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1SLC22A12METAP2
SCHEMBL21396776 0.89 CHUK (0.37) CYP11B2CYP11B1CYP17A1SLC22A12METAP2
SCHEMBL21758574 0.87 CHUK (0.39) CYP11B2CYP11B1CYP17A1CYP19A1CHUK
SCHEMBL21758558 0.87 NEK1 (0.40) CYP11B2CYP11B1CYP17A1SLC22A12CHRNB2
SCHEMBL21397128 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1SLC22A12CYP1A2
SCHEMBL21758340 0.86 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1SLC22A12METAP2
SCHEMBL21396962 0.85 CDK4 (0.35) CYP11B2CYP11B1CYP17A1CHRNB2CHRNA5
SCHEMBL21396904 0.85 CYP11B2 (0.36) CYP11B2CYP11B1CYP17A1CHUK
SCHEMBL21758338 0.85 CYP19A1 (0.35) CYP11B2CYP11B1CYP17A1CYP19A1CHUK

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 CYP11B2 1859/4885CYP11B1 1877/4885CYP17A1 3286/4885

“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.