SCHEMBL21838752

SCHEMBL21838752

c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)n4)cc3)nc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ADK P55263 2/20 0.41
DPP4 P27487 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
WHR1 P49842 1/20 0.39
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP1 P24666 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL23177233 0.98 KMT2A (0.46) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL13133532 0.93 KDM4E (0.45) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177232 0.87 ATM (0.47) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177053 0.87 MEN1 (0.43) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177395 0.87 ATM (0.47) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177169 0.87 KDM4E (0.42) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177387 0.87 KDM4E (0.42) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177231 0.87 KDM4E (0.42) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23177147 0.86 ATM (0.42) ATMKMT2AMEN1KDM4EL3MBTL1
SCHEMBL22148881 0.85 KMT2A (0.43) ATMKMT2AMEN1KDM4EL3MBTL1

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-11584739-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-21 US disclosed
US-20200115364-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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 (2 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-20200115364-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA ATM 1853/4885KMT2A 3575/4885MEN1 3395/4885
US-11584739-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA ATM 1853/4885KMT2A 3575/4885MEN1 3395/4885

“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.