SCHEMBL21736027

SCHEMBL21736027

c1cncc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c3oc4ccccc4c3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALOX12 P18054 1/20 0.45
LMNA P02545 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
GBA1 P04062 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 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
SCHEMBL21736553 0.97 TSHR (0.47) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736070 0.88 TSHR (0.53) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL20669837 0.86 TSHR (0.48) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736032 0.85 TSHR (0.45) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736043 0.85 TSHR (0.37) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL20669998 0.85 TSHR (0.44) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736122 0.85 TSHR (0.44) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736071 0.84 TSHR (0.43) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL26741712 0.83 TSHR (0.47) TSHRALDH1A1MAPTHSD17B10MEN1
SCHEMBL21736454 0.82 TSHR (0.44) TSHRALDH1A1MAPTHSD17B10MEN1

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 TSHR 4719/4885ALDH1A1 14/4885MAPT 1009/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885ALDH1A1 14/4885MAPT 1009/4885

“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.