SCHEMBL21396687

SCHEMBL21396687

N#Cc1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c(-c2cnccc2N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SLC22A12 Q96S37 5/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ABCC9 O60706 1/20 0.32
CYP19A1 P11511 3/20 0.32
CYP17A1 P05093 1/20 0.32
CHUK O15111 1/20 0.32
PDK2 Q15119 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL21396737 0.90 PDK2 (0.36) CYP11B1CYP11B2NPSR1SLC22A12GABRA1
SCHEMBL21396645 0.89 CYP11B1 (0.37) CYP11B1CYP11B2NPSR1SLC22A12GABRA1
SCHEMBL21397002 0.86 CYP11B2 (0.38) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21397171 0.86 ABCC9 (0.37) CYP11B1CYP11B2ABCC9CYP17A1CHUK
SCHEMBL21396792 0.81 CYP11B2 (0.37) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL22916728 0.80 ABCG2 (0.38) NPSR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21396700 0.79 GABRA1 (0.33) CYP11B1CYP11B2NPSR1GABRA1GABRG2
SCHEMBL21396643 0.79 CYP11B1 (0.38) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL21397048 0.79 CYP11B2 (0.37) CYP11B1CYP11B2SLC22A12GABRA1GABRG2
SCHEMBL19345042 0.78 PGR (0.33) NPSR1GABRA1GABRG2GABRB3GABRA5

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 1859/4885NPSR1 2986/4885

“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.