SCHEMBL21396949

SCHEMBL21396949

N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccnc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A12 Q96S37 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
CYP11B2 P19099 1/20 0.34
LRRK2 Q5S007 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL21396757 0.90 ALDH1A1 (0.36) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL19062211 0.85 KDM4E (0.47) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL17952762 0.83 KDM4E (0.42) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL17952744 0.83 KDM4E (0.42) ALDH1A1HPGDKDM4EATML3MBTL1
SCHEMBL21132053 0.81 KDM4E (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL21131412 0.81 KDM4E (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL21131408 0.81 KDM4E (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL21131405 0.81 KDM4E (0.43) ARALDH1A1HPGDLMNAMAPK1
SCHEMBL21397137 0.81 LRRK2 (0.35) ALDH1A1HPGDLMNASLC22A12KDM4E
SCHEMBL21397059 0.81 MEN1 (0.37) ALDH1A1HPGDLMNASLC22A12KDM4E

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 AR 3741/4885ALDH1A1 825/4885HPGD 2339/4885

“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.