SCHEMBL20180701

SCHEMBL20180701

c1ccc(B2N3B4N(B(c5ccccc5)N2c2ccccc2)B(c2ccccc2)N(c2ccc(-n5c6ccccc6c6ccccc65)cc2)B(c2ccccc2)N4B(c2ccccc2)N(c2ccccc2)B3c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.56
PTPN1 P18031 2/20 0.35
KMT2A Q03164 4/20 0.34
MAPK8 P45983 2/20 0.34
IL1R1 P14778 1/20 0.34
HDAC4 P56524 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPK9 P45984 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDR P35968 1/20 0.33
PGR P06401 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
BRCA1 P38398 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
SCHEMBL20180702 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL20734359 0.90 L3MBTL1 (0.64) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL20470483 0.84 L3MBTL1 (0.56) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL20734253 0.79 L3MBTL1 (0.53) L3MBTL1KDM4EATMKMT2AMAPK8
SCHEMBL20180709 0.79 KDM4E (0.49) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL20734250 0.78 KDM4E (0.47) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL20734360 0.78 L3MBTL1 (0.55) L3MBTL1KDM4EATMKMT2AMAPK8
SCHEMBL20180840 0.77 KDM4E (0.41) L3MBTL1KDM4EATM
SCHEMBL20734357 0.77 L3MBTL1 (0.50) L3MBTL1KDM4EATMKMT2AMAPK8
SCHEMBL20734430 0.76 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AMAPK8

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 L3MBTL1 871/4885KDM4E 3013/4885ATM 4294/4885
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO4C1, SLCO2A1, SLCO2B1 L3MBTL1 1634/4885KDM4E 3981/4885ATM 4617/4885

“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.