SCHEMBL21162956

SCHEMBL21162956

c1ccc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)n5)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 5/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NTSR1 P30989 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
RAC2 P15153 1/20 0.37
RAC3 P60763 1/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
TDP1 Q9NUW8 2/20 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
SCHEMBL30118228 1.00 MAPT (0.43) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL21069183 1.00 MAPT (0.43) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL16152687 0.95 MAPT (0.45) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL15371696 0.95 MAPT (0.47) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL16152750 0.95 MAPT (0.47) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL20711100 0.95 MAPT (0.47) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL15371761 0.94 KDM4E (0.43) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL21069159 0.94 MAPT (0.48) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL30118250 0.94 MAPT (0.48) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17227639 0.93 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10

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-11575088-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-07 US disclosed
US-20190198777-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-06-27 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-11575088-B2 Composition of matter for use in organic light-emitting diodes CRY2, CYBA, ALDH1A2 MAPT 159/4885MAPK1 4781/4885NPSR1 3026/4885
US-20190198777-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CYBA, ALDH1A2 MAPT 159/4885MAPK1 4781/4885NPSR1 3026/4885

“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.