SCHEMBL16977005

SCHEMBL16977005

c1ccc(B(c2ccccc2)c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
HDAC4 P56524 1/20 0.30
KMT2A Q03164 1/20 0.30
IL1R1 P14778 1/20 0.30

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
SCHEMBL16978856 1.00 KDM4E (0.47) KDM4EATML3MBTL1PTPN1MAPK8
SCHEMBL16978841 0.95 KDM4E (0.47) KDM4EATML3MBTL1PTPN1MAPK8
SCHEMBL16978850 0.95 L3MBTL1 (0.49) KDM4EATML3MBTL1PTPN1MAPK8
SCHEMBL17448911 0.93 L3MBTL1 (0.45) KDM4EATML3MBTL1MAPK8MAPK9
SCHEMBL16977101 0.93 KDM4E (0.45) KDM4EATML3MBTL1MAPK8MAPK9
SCHEMBL16977040 0.93 L3MBTL1 (0.49) KDM4EATML3MBTL1PTPN1MAPK8
SCHEMBL16977052 0.93 KDM4E (0.43) KDM4EATML3MBTL1MAPK8
SCHEMBL17448881 0.92 KDM4E (0.45) KDM4EATML3MBTL1PTPN1MAPK8
SCHEMBL16978886 0.91 KDM4E (0.41) KDM4EATML3MBTL1MAPK8KMT2A
SCHEMBL17448902 0.91 L3MBTL1 (0.47) KDM4EATML3MBTL1PTPN1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-08-06 US disclosed
US-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-08-06 US disclosed
EP-2903048-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2015-08-05 EP 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-20150218191-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT EBPL, ELOC, EML4 KDM4E 1194/4885ATM 4343/4885L3MBTL1 117/4885

“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.