SCHEMBL21454024

SCHEMBL21454024

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL21454025 0.94 L3MBTL1 (0.42) ADAMTS5L3MBTL1ALDH1A1MAPK1POLB
SCHEMBL20689831 0.92 L3MBTL1 (0.41) ADAMTS5L3MBTL1ALDH1A1MAPK1POLB
SCHEMBL21454026 0.90 L3MBTL1 (0.40) ADAMTS5L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL21453331 0.89 NPC1 (0.42) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21453333 0.88 NPC1 (0.43) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19008472 0.88 L3MBTL1 (0.38) ADAMTS5L3MBTL1ALDH1A1MAPK1POLB
SCHEMBL31669 0.87 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPK1POLBADORA2A
SCHEMBL11892599 0.86 L3MBTL1 (0.39) ADAMTS5L3MBTL1ALDH1A1MAPK1POLB
SCHEMBL20689833 0.85 MEN1 (0.40) ADAMTS5L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL29712520 0.85 PDE6D (0.40) ADAMTS5L3MBTL1ALDH1A1CYP1A2CYP3A4

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 ADAMTS5 4797/4885L3MBTL1 2377/4885ALDH1A1 569/4885

“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.