SCHEMBL22649232

SCHEMBL22649232

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c3c3ccccc3c3nc5ccccc5n34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HPGD P15428 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
ADORA2A P29274 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38
FLT3 P36888 2/20 0.36
HIF1A Q16665 1/20 0.36
BMX P51813 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
SCHEMBL16066373 0.95 KDM4E (0.48) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066129 0.93 KDM4E (0.46) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066409 0.89 KDM4E (0.44) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL22649045 0.87 KDM4E (0.52) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066176 0.86 ALDH1A1 (0.51) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066939 0.86 KDM4E (0.44) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL15128408 0.85 MEN1 (0.44) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL18851864 0.85 HPGD (0.50) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066607 0.85 KDM4E (0.45) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL16066375 0.85 HPGD (0.45) KDM4EHPGDALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-12 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 (1 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-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, L1CAM, EFNA1 KDM4E 2430/4885HPGD 1383/4885ALDH1A1 35/4885

“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.