SCHEMBL17995013

SCHEMBL17995013

c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4ccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 2/20 0.33
PPARG P37231 1/20 0.32
HDAC4 P56524 1/20 0.32
MAPK8 P45983 2/20 0.32
IL1R1 P14778 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
SCHEMBL17995042 0.96 KDM4E (0.47) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL24703493 0.94 KDM4E (0.49) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17995030 0.93 KDM4E (0.44) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17995017 0.93 KDM4E (0.44) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17995001 0.93 KDM4E (0.47) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17995018 0.93 KDM4E (0.50) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL20276575 0.93 KDM4E (0.49) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL17995022 0.92 ATM (0.42) KDM4EATML3MBTL1JAK2JAK3
SCHEMBL22722268 0.91 KDM4E (0.55) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL25635033 0.91 KDM4E (0.58) KDM4EATML3MBTL1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228523-A1 Metal complexes UDC IRELAND LTD (IE) 2024-07-11 US disclosed
US-20240228523-A1 Metal complexes UDC IRELAND LTD (IE) 2024-07-11 US disclosed
WO-2024133211-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
US-10177316-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-01-08 US disclosed
US-20160233435-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-08-11 US disclosed
US-20160233435-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-08-11 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 (3 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-20240228523-A1 Metal complexes MCU, IMMT, SOD1 KDM4E 4540/4885ATM 4257/4885L3MBTL1 3190/4885
US-20160233435-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OSBPL3, OSBP2 KDM4E 4338/4885ATM 4180/4885L3MBTL1 808/4885
US-10177316-B2 Organic electroluminescent materials and devices OSBP, OSBPL3, OSBP2 KDM4E 4338/4885ATM 4180/4885L3MBTL1 808/4885

“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.