SCHEMBL21453890

SCHEMBL21453890

CC(C)(C)c1ccc(-n2c3cccnc3c3ncccc32)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UQCRB P14927 1/20 0.37
KIF11 P52732 1/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLO1 Q04760 1/20 0.35
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 4/20 0.33
AKT1 P31749 2/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
PABPC1 P11940 1/20 0.32
EIF4H Q15056 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
GRM4 Q14833 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 2/20 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
SCHEMBL23011291 0.81 KDM4E (0.37) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL21453891 0.76 MKNK1 (0.35) KIF11MAPT
SCHEMBL21453895 0.76 MAOA (0.43) KIF11KMT2AMEN1
SCHEMBL13248484 0.73 ALDH1A1 (0.51) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL23438816 0.72 NOTUM (0.43) KIF11KMT2AGLO1MEN1GRM4
SCHEMBL16455944 0.70 TNKS (0.49) KMT2AKDM4EMEN1MAPTHSP90AA1
SCHEMBL16644613 0.70 NPC1 (0.40) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL13649195 0.69 GAA (0.37) KIF11KMT2AKDM4EALDH1A1MEN1
SCHEMBL13757422 0.69 MAPT (0.60) KDM4EALDH1A1MAPTL3MBTL1GRIN2B
SCHEMBL13757421 0.69 KMT2A (0.55) KMT2AKDM4EALDH1A1MEN1MAPT

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 UQCRB 169/4885KIF11 2285/4885KMT2A 2917/4885

“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.