SCHEMBL23917376

SCHEMBL23917376

c1ccc2c(c1)nc1c3c(ccn21)c1ccccc1n3-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 4/20 0.33
TSHR P16473 2/20 0.33
PTPN1 P18031 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL21622932 0.89 KDM4E (0.43) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL23917067 0.87 KDM4E (0.47) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL23917325 0.81 GAA (0.37) KDM4EALDH1A1LMNATP53SMN1; SMN2
SCHEMBL10041610 0.79 KDM4E (0.44) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL22649227 0.79 KDM4E (0.44) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL10041611 0.79 KDM4E (0.42) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL10041551 0.76 KDM4E (0.45) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL23917074 0.76 KDM4E (0.41) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL10023458 0.75 KDM4E (0.41) KDM4EALDH1A1LMNATP53NPC1
SCHEMBL10023479 0.75 KDM4E (0.41) KDM4EALDH1A1LMNATP53NPC1

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 KDM4E 2132/4885ALDH1A1 504/4885LMNA 2986/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 2132/4885ALDH1A1 504/4885LMNA 2986/4885

“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.