SCHEMBL21396781

SCHEMBL21396781

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 3/20 0.39
CHUK O15111 1/20 0.38
PTGER4 P35408 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SLC22A12 Q96S37 2/20 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 1/20 0.35
EGFR P00533 2/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL21758496 0.97 CHUK (0.39) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21396906 0.93 CYP11B2 (0.36) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21758176 0.93 CYP19A1 (0.36) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21758177 0.93 CYP19A1 (0.36) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21758342 0.92 CYP11B2 (0.39) CYP11B2CYP11B1CHUKPTGER4SLC22A12
SCHEMBL21758501 0.92 CYP11B2 (0.40) CYP11B2CYP11B1PTGER4SLC22A12CYP17A1
SCHEMBL21396782 0.91 CYP11B2 (0.38) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21396776 0.91 CHUK (0.37) CYP11B2CYP11B1CHUKPTGER4NCOA3
SCHEMBL21758194 0.91 KDM4E (0.39) CYP11B2CYP11B1CHUKPTGER4SLC22A12
SCHEMBL21758491 0.91 CHUK (0.43) CYP11B2CYP11B1CHUKSLC22A12GSK3A

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 1877/4885CHUK 3116/4885

“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.