SCHEMBL21396782

SCHEMBL21396782

N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.38
CYP11B1 P15538 5/20 0.38
SLC22A12 Q96S37 4/20 0.38
CHUK O15111 1/20 0.37
PTGER4 P35408 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 3/20 0.34
FLT3 P36888 2/20 0.34
SLC6A2 P23975 1/20 0.33

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 0.96 CHUK (0.38) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21396786 0.93 CYP11B2 (0.36) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758710 0.92 CYP19A1 (0.34) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758709 0.92 CYP19A1 (0.34) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758159 0.91 CYP11B2 (0.37) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758488 0.91 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12PTGER4CYP17A1
SCHEMBL21396773 0.91 CHUK (0.38) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21396781 0.91 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758484 0.90 CHUK (0.42) CYP11B2CYP11B1SLC22A12CHUKGSK3A
SCHEMBL21397128 0.89 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12CHUKCYP17A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 1877/4885SLC22A12 224/4885

“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.