SCHEMBL21089321

SCHEMBL21089321

Nc1ccccc1-c1nc2c(-c3ccccc3)cc(-c3ccc(F)cc3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
TOP1 P11387 2/20 0.41
ALOX5 P09917 1/20 0.39
ADORA1 P30542 2/20 0.39
APP P05067 2/20 0.39
ADORA2A P29274 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL21089302 0.89 ALDH1A1 (0.48) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089463 0.86 ALDH1A1 (0.41) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089475 0.86 ALDH1A1 (0.48) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089318 0.85 ALOX5 (0.45) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089486 0.85 ALDH1A1 (0.47) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089456 0.85 ALDH1A1 (0.42) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089501 0.81 ALDH1A1 (0.45) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089677 0.79 MAPT (0.43) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089682 0.79 ALDH1A1 (0.43) MAPTKDM4EALDH1A1MEN1NPC1
SCHEMBL21089192 0.77 ALDH1A1 (0.59) MAPTKDM4EALDH1A1MEN1NPC1

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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 MAPT 1819/4885KDM4E 812/4885ALDH1A1 451/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 MAPT 1819/4885KDM4E 812/4885ALDH1A1 451/4885

“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.