SCHEMBL21396776

SCHEMBL21396776

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccncc2-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.37
PTGER4 P35408 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP11B2 P19099 5/20 0.35
CYP11B1 P15538 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.34
EGFR P00533 2/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
METAP2 P50579 1/20 0.33
SLC6A2 P23975 1/20 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

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
SCHEMBL21758574 0.97 CHUK (0.39) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21758337 0.93 CYP19A1 (0.35) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21758338 0.93 CYP19A1 (0.35) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21396904 0.93 CYP11B2 (0.36) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21758577 0.92 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1CYP17A1SLC22A12
SCHEMBL21758717 0.92 CYP11B2 (0.36) CHUKPTGER4CYP11B2CYP11B1METAP2
SCHEMBL21758340 0.91 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL21396781 0.91 CYP11B2 (0.39) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21396773 0.91 CHUK (0.38) CHUKPTGER4NCOA3CYP11B2CYP11B1
SCHEMBL21758568 0.91 CHUK (0.43) CHUKCYP11B2CYP11B1CYP17A1CYP19A1

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 CHUK 3116/4885PTGER4 2404/4885NCOA3 1772/4885

“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.