SCHEMBL21396933

SCHEMBL21396933

N#Cc1cc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 0.42
CYP11B1 P15538 17/20 0.42
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21397039 0.92 CYP11B2 (0.45) CYP11B2CYP11B1KDM4EATML3MBTL1
SCHEMBL21397006 0.85 CYP11B1 (0.39) CYP11B2CYP11B1ALDH1A1NPSR1TDP1
SCHEMBL19062209 0.85 IMPDH2 (0.43) ALDH1A1NPSR1TDP1KDM4EATM
SCHEMBL21396647 0.84 CYP11B2 (0.38) CYP11B2CYP11B1ALDH1A1NPSR1KDM4E
SCHEMBL21396649 0.84 CYP11B2 (0.36) CYP11B2CYP11B1ALDH1A1NPSR1TDP1
SCHEMBL21397073 0.83 CYP11B1 (0.41) CYP11B2CYP11B1ALDH1A1NPSR1TDP1
SCHEMBL21396951 0.82 SMN1; SMN2 (0.35) CYP11B2CYP11B1ALDH1A1KDM4EATM
SCHEMBL612850 0.82 KDM4E (0.52) CYP11B2CYP11B1KDM4EATML3MBTL1
SCHEMBL19697237 0.82 KDM4E (0.41) CYP11B2CYP11B1ALDH1A1NPSR1TDP1
SCHEMBL19037891 0.80 L3MBTL1 (0.50) ALDH1A1NPSR1TDP1KDM4EATM

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 1877/4885ALDH1A1 825/4885

“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.