SCHEMBL21396794

SCHEMBL21396794

N#Cc1cc(-c2cnc(N3c4ccccc4Sc4ccccc43)cc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PTGER4 P35408 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
ACHE P22303 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL21397046 0.85 PTGER4 (0.32) PTGER4
SCHEMBL21396940 0.83 PTGER4 (0.33) PTGER4
SCHEMBL21396769 0.83 PTGER4 (0.33) PTGER4ALDH1A1HPGD
SCHEMBL21397057 0.83 PTGER4 (0.37) PTGER4MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21397132 0.82 PTGER4 (0.30) PTGER4
SCHEMBL21396753 0.79
SCHEMBL20437413 0.79 MAOA (0.39) FNTAFNTBMEN1ALDH1A1KMT2A
SCHEMBL18196331 0.78 BCHE (0.39) FNTAFNTBMEN1ALDH1A1KMT2A
SCHEMBL29412276 0.74 IMPDH2 (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL19062514 0.74 IMPDH2 (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2HPGD

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 FNTA 2086/4885FNTB 1931/4885PTGER4 2404/4885

“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.