SCHEMBL21397041

SCHEMBL21397041

N#Cc1c(-c2cncc(-n3c4ccccc4c4ccccc43)c2)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP11B1 P15538 3/20 0.34
DUSP3 P51452 1/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIM1 P11309 1/20 0.32
MAOA P21397 1/20 0.31
PTGER4 P35408 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL21397163 0.86 CYP11B2 (0.41) CYP11B2KDM4EATML3MBTL1GAA
SCHEMBL21022457 0.84 KDM4E (0.42) CYP11B2SMN1; SMN2HIF1AKDM4EATM
SCHEMBL21396647 0.82 CYP11B2 (0.38) CYP11B2SMN1; SMN2KDM4EATML3MBTL1
SCHEMBL21396649 0.82 CYP11B2 (0.36) CYP11B2SMN1; SMN2HIF1AKDM4EATM
SCHEMBL21396705 0.82 CYP1A2 (0.37) CYP11B2SMN1; SMN2HIF1AKDM4EATM
SCHEMBL21396937 0.81 CYP11B2 (0.38) CYP11B2KDM4EATML3MBTL1CYP11B1
SCHEMBL21396934 0.81 PTGER4 (0.35) CYP11B2KDM4EATML3MBTL1CYP11B1
SCHEMBL21396951 0.81 SMN1; SMN2 (0.35) CYP11B2SMN1; SMN2HIF1AKDM4EATM
SCHEMBL22379431 0.81 SMN1; SMN2 (0.40) CYP11B2SMN1; SMN2HIF1AKDM4EATM
SCHEMBL22378797 0.81 SMN1; SMN2 (0.39) CYP11B2SMN1; SMN2HIF1AKDM4EATM

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 1859/4885SMN1; SMN2 3762/4885HIF1A 3513/4885

“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.