SCHEMBL21396701

SCHEMBL21396701

N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3ccc(C#N)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IMPDH2 P12268 1/20 0.35
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.34
AR P10275 2/20 0.33
PIM1 P11309 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
SCN9A Q15858 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL21396747 0.92 KDM4E (0.38) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL24924875 0.88 CYP11B2 (0.53) CYP11B1CYP11B2ALDH1A1HPGDIMPDH2
SCHEMBL21396691 0.86 ALDH1A1 (0.36) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL19062273 0.85 KDM4E (0.42) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL28513340 0.84 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EL3MBTL1ALDH1A1
SCHEMBL21396763 0.83 CYP11B1 (0.34) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL25904410 0.82 KDM4E (0.39) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL28573129 0.81 KDM4E (0.43) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL19697202 0.81 KDM4E (0.41) CYP11B1CYP11B2KDM4EATML3MBTL1
SCHEMBL20114647 0.81 ALDH1A1 (0.40) CYP11B1CYP11B2KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B1 1877/4885CYP11B2 1859/4885KDM4E 955/4885

“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.