SCHEMBL21396937

SCHEMBL21396937

N#Cc1cccc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 4/20 0.38
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA1 P14867 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP19A1 P11511 1/20 0.33
DUSP3 P51452 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL22379253 0.90 CYP11B2 (0.44) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL19755243 0.85 KDM4E (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21397162 0.84 METAP2 (0.39) CYP11B2CYP11B1KDM4EATML3MBTL1
SCHEMBL19697650 0.84 ESR2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21397040 0.82 ALDH1A1 (0.40) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL21396950 0.82 ALDH1A1 (0.40) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL22377550 0.82 KDM4E (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL19755304 0.82 KDM4E (0.43) KDM4EATML3MBTL1TRPA1NR3C1
SCHEMBL22377607 0.81 ATM (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21397041 0.81 CYP11B2 (0.39) CYP11B2CYP11B1KDM4EATML3MBTL1

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 1877/4885GABRG2 3243/4885

“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.