SCHEMBL21168818

SCHEMBL21168818

c1ccc(-c2nc(-c3ccc4cc(-n5c6ccccc6c6cc7c8cc9ccccc9cc8n(-c8ccccc8)c7cc65)ccc4c3)nc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
WHR1 P49842 1/20 0.36
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ADORA2A P29274 1/20 0.33
NUDT1 P36639 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
PTGER4 P35408 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
SCHEMBL21168821 0.94 ATM (0.49) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL20886603 0.94 ATM (0.46) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL23370371 0.93 ATM (0.48) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL23370503 0.93 ATM (0.48) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21717334 0.92 ATM (0.38) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21168886 0.91 ATM (0.39) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21213299 0.91 ATM (0.41) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21716497 0.91 ATM (0.38) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21213901 0.91 ATM (0.41) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL21213789 0.90 ATM (0.44) ATMMEN1KMT2AKDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM ATM 1583/4885MEN1 3080/4885KMT2A 1092/4885

“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.