SCHEMBL21736368

SCHEMBL21736368

c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc(-c7ccccn7)cc6c5n4)cccc32)cc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
PPP1CA P62136 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL21736006 0.87 TSHR (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21736051 0.85 TSHR (0.35) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A2
SCHEMBL21736023 0.79 TSHR (0.44) TSHRMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL21736454 0.79 TSHR (0.44) TSHRMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL21736008 0.78 SMN1; SMN2 (0.32) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL20670241 0.78 PIK3CA (0.36) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A2
SCHEMBL21475050 0.77 TSHR (0.40) TSHRMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL26741715 0.77 TSHR (0.38) PIK3CATSHRMAPTL3MBTL1KDM4E
SCHEMBL21736481 0.77 TSHR (0.39) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21474789 0.76 MAPT (0.37) TSHRMAPTKDM4EALDH1A1TP53

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 PIK3CD 4544/4885PIK3CA 4634/4885PIK3CB 4704/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PIK3CD 4544/4885PIK3CA 4634/4885PIK3CB 4704/4885

“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.