SCHEMBL21396696

SCHEMBL21396696

N#Cc1c(-c2cc(-n3c4ccccc4c4ccccc43)ccn2)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HIF1A Q16665 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP11B2 P19099 1/20 0.32
GAA P10253 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL21396703 0.86 KDM4E (0.38) KDM4EATML3MBTL1SMN1; SMN2HIF1A
SCHEMBL21396971 0.86 KDM4E (0.38) GRM5KDM4EATML3MBTL1SMN1; SMN2
SCHEMBL21396954 0.82 GRM5 (0.35) GRM5KDM4EATML3MBTL1SMN1; SMN2
SCHEMBL21397134 0.81 GRIA1 (0.35) GRM5KDM4EATML3MBTL1SMN1; SMN2
SCHEMBL21397127 0.81 GRM5 (0.42) GRM5KDM4EATML3MBTL1ALDH1A1
SCHEMBL21396751 0.80 MAPK1 (0.38) GRM5KDM4EATML3MBTL1SMN1; SMN2
SCHEMBL19051994 0.79 ALDH1A1 (0.43) KDM4EATML3MBTL1SMN1; SMN2HIF1A
SCHEMBL21022457 0.79 KDM4E (0.42) KDM4EATML3MBTL1SMN1; SMN2HIF1A
SCHEMBL21396970 0.79 GRM5 (0.46) GRM5KDM4EATML3MBTL1PTGER4
SCHEMBL21929598 0.78 PTGER4 (0.38) GRM5KDM4EALDH1A1MAPTTSHR

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 GRM5 4577/4885KDM4E 955/4885ATM 4028/4885

“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.