SCHEMBL20180709

SCHEMBL20180709

C1=c2ccccc2=CN2B(c3ccccc3)N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)B(c3ccccc3)N12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 1/20 0.35
PTPN1 P18031 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK8 P45983 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
SCHEMBL20734359 0.84 L3MBTL1 (0.64) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL20180701 0.79 L3MBTL1 (0.56) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL20180702 0.78 L3MBTL1 (0.55) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL20734253 0.74 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1MAPK8
SCHEMBL20734250 0.72 KDM4E (0.47) KDM4EATML3MBTL1PTPN1ALDH1A1
SCHEMBL20734360 0.72 L3MBTL1 (0.55) KDM4EATML3MBTL1ALDH1A1MAPK8
SCHEMBL20734357 0.72 L3MBTL1 (0.50) KDM4EATML3MBTL1ALDH1A1MAPK8
SCHEMBL31397606 0.71 L3MBTL1 (0.84) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL77361 0.71 L3MBTL1 (0.84) KDM4EATML3MBTL1HDAC4PTPN1
SCHEMBL29462713 0.71 L3MBTL1 (0.84) KDM4EATML3MBTL1HDAC4PTPN1

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-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-08-09 US disclosed
US-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2018-05-24 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-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device SLC43A1, SLC6A19, AOC3 KDM4E 3013/4885ATM 4294/4885L3MBTL1 871/4885
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO4C1, SLCO2A1, SLCO2B1 KDM4E 3981/4885ATM 4617/4885L3MBTL1 1634/4885

“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.