SCHEMBL23917312

SCHEMBL23917312

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5nc6ccccn6c5c43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
GLA P06280 5/20 0.41
GAA P10253 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
PDE5A O76074 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.33
MAPK10 P53779 1/20 0.33
ATM Q13315 2/20 0.33
GBA1 P04062 1/20 0.33
CASP1 P29466 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
SCHEMBL21622756 0.87 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL23917314 0.85 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL23917077 0.85 KDM4E (0.40) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL21622878 0.83 KDM4E (0.36) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL2754631 0.83 ATM (0.42) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL21622869 0.83 KDM4E (0.35) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL23917371 0.82 KDM4E (0.40) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL12691195 0.82 ATM (0.41) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL23917146 0.80 KDM4E (0.38) KDM4EALDH1A1GLAGAASMN1; SMN2
SCHEMBL16452033 0.79 ATM (0.39) KDM4EPOLBNPSR1PDE5AMEN1

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 504/4885GLA 1843/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 2132/4885ALDH1A1 504/4885GLA 1843/4885

“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.