SCHEMBL21396691

SCHEMBL21396691

N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IMPDH2 P12268 1/20 0.33
AR P10275 4/20 0.32
TGFBR1 P36897 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PDE4D Q08499 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 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
SCHEMBL21397126 0.93 GRM5 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396701 0.86 CYP11B1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396954 0.82 GRM5 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19062273 0.82 KDM4E (0.42) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396751 0.82 MAPK1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397043 0.81 PLAUR (0.37) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL30968745 0.81 KDM4E (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL26940627 0.81 KDM4E (0.46) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116486 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21116471 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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 ALDH1A1 825/4885LMNA 1449/4885HPGD 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.