SCHEMBL21736111

SCHEMBL21736111

c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4c5ccccc5ccc43)nc3c2sc2ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
MMP14 P50281 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 3/20 0.32
TNKS2 Q9H2K2 3/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HTR2C P28335 1/20 0.31
MAPK9 P45984 1/20 0.30
MAPK14 Q16539 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
KRAS P01116 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
SCHEMBL21736433 0.98 TNKS (0.33) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL21736390 0.93 TNKS (0.34) TNKSTNKS2HTR2CMAPK9MAPK14
SCHEMBL21736162 0.92 PIM1 (0.39) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL21736389 0.91 PIM1 (0.36) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL20670087 0.91 TNKS (0.33) TNKSTNKS2MAPK9MAPK14
SCHEMBL21736167 0.91 TNKS (0.33) TNKSTNKS2MAPK9MAPK14
SCHEMBL23983640 0.91 TNKS (0.32) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL24037059 0.90 MAPT (0.35) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL25899062 0.90 LIMK1 (0.35) MEN1LMNAMAPTMAPK1RECQL
SCHEMBL23983880 0.89 TNKS (0.33) TNKSTNKS2PIM1PIM2

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 MEN1 598/4885LMNA 3949/4885MAPT 1009/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 MEN1 598/4885LMNA 3949/4885MAPT 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.