SCHEMBL21397005

SCHEMBL21397005

N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cn2)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL21396983 0.90 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397004 0.84 ALOX5AP (0.35) ALDH1A1SMN1; SMN2ALOX5APFEN1GRM2
SCHEMBL21396749 0.83 KDM4E (0.38) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL21397009 0.83 GABRA1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397007 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22378537 0.82 KDM4E (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL17955024 0.82 ATM (0.39) ALDH1A1SMN1; SMN2ALOX5APFEN1GRM2
SCHEMBL21396721 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19062206 0.80 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396668 0.80 KDM4E (0.35) ALDH1A1SMN1; SMN2ALOX5APFEN1GRM2

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 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.