SCHEMBL23917164

SCHEMBL23917164

c1ccc(-n2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3ccc4nc5ccccc5n4c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.45
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL15762947 0.83 PTGER4 (0.58) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL12957715 0.80 KDM4E (0.64) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL15446434 0.79 PTGER4 (0.54) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL24169322 0.79 PTGER4 (0.54) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL24169358 0.79 PTGER4 (0.54) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL15446435 0.79 PTGER4 (0.54) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL26476376 0.79 PTGER4 (0.54) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL15762940 0.78 ESR1 (0.55) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL17616864 0.78 ESR1 (0.58) PTGER4KDM4EATML3MBTL1ALDH1A1
SCHEMBL15371714 0.78 ESR1 (0.58) PTGER4KDM4EATML3MBTL1ALDH1A1

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM PTGER4 2770/4885KDM4E 2132/4885ATM 3016/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM PTGER4 2770/4885KDM4E 2132/4885ATM 3016/4885

“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.