SCHEMBL21736155

SCHEMBL21736155

N#Cc1cccc(-c2nc3oc4ccc(-c5ccccc5)cc4c3nc2-n2c3ccccc3c3cc4ccccc4cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
ADORA2A P29274 3/20 0.38
TDO2 P48775 1/20 0.36
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
CLK4 Q9HAZ1 3/20 0.36
CYP2D6 P10635 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
SLC2A1 P11166 1/20 0.35
CFTR P13569 1/20 0.35
ADORA1 P30542 3/20 0.35
ALDH1A3 P47895 1/20 0.35
USP30 Q70CQ3 2/20 0.34
MAP4K4 O95819 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 2/20 0.33
ADORA2B P29275 2/20 0.33

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
SCHEMBL20669798 0.89 PIM1 (0.36) PGRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21736300 0.88 ADORA2A (0.36) PGRADORA2ATDO2CYP1A2CYP3A4
SCHEMBL21736583 0.86 KDM4E (0.35) PGRLMNA
SCHEMBL21736541 0.85 KDM4E (0.33) CYP1A2CYP3A4CLK4CYP2D6LMNA
SCHEMBL21736386 0.84 PIM1 (0.38) PGRMEN1KMT2A
SCHEMBL21735923 0.83 CYP1A2 (0.41) PGRADORA2ACYP1A2CYP3A4CLK4
SCHEMBL20669836 0.83 KDM4E (0.33) CYP1A2CYP3A4CLK4CYP2D6LMNA
SCHEMBL20669735 0.81 CHEK2 (0.36) CYP1A2ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL21736518 0.81 MEN1 (0.34) ADORA2ACYP1A2CYP3A4CLK4CYP2D6
SCHEMBL21735855 0.80 MEN1 (0.36) ADORA2ACYP1A2CYP3A4CLK4CYP2D6

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 PGR 2709/4885ADORA2A 3457/4885TDO2 479/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PGR 2709/4885ADORA2A 3457/4885TDO2 479/4885

“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.