SCHEMBL23076040

SCHEMBL23076040

O=c1nc(-c2ccccc2)nc2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDE7A Q13946 1/20 0.34
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAT2A P31153 5/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 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
SCHEMBL23076044 0.87 KDM4E (0.39) KMT2AKDM4EATML3MBTL1LMNA
SCHEMBL29507013 0.87 KDM4E (0.39) KMT2AKDM4EATML3MBTL1LMNA
SCHEMBL23076199 0.83 TSPO (0.35) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL23959096 0.81 AKT1 (0.41) KMT2AKDM4EATML3MBTL1MEN1
SCHEMBL9888958 0.80 L3MBTL1 (0.52) KMT2AKDM4EATML3MBTL1MAPK8
SCHEMBL17278464 0.79 L3MBTL1 (0.50) KMT2AKDM4EATML3MBTL1MAPK8
SCHEMBL16521275 0.79 L3MBTL1 (0.50) KMT2AKDM4EATML3MBTL1MAPK8
SCHEMBL16521278 0.79 L3MBTL1 (0.50) KMT2AKDM4EATML3MBTL1MAPK8
SCHEMBL21365669 0.79 L3MBTL1 (0.50) KMT2AKDM4EATML3MBTL1MAPK8
SCHEMBL21365593 0.79 L3MBTL1 (0.48) KMT2AKDM4EATML3MBTL1MEN1

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
US-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — WO 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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KMT2A 1511/4885KDM4E 1889/4885ATM 3068/4885

“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.

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