SCHEMBL21736036

SCHEMBL21736036

c1cncc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c3sc4ccccc4c3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
CYP2D6 P10635 2/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 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
SCHEMBL21736532 0.90 PIM1 (0.44) GBA1CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL21736552 0.89 CYP1A2 (0.37) GBA1CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL21736072 0.87 PRKCI (0.42) LMNAUSP2MAPTTSHRMEN1
SCHEMBL21735881 0.86 HTR2C (0.35) CYP1A2CYP3A4CYP2D6TSHRPRKCI
SCHEMBL21735859 0.85 HTR2C (0.36) PRKCIPIK3CAPIM1PIM2
SCHEMBL21736126 0.85 HTR2C (0.35) PRKCIPIK3CAPIM1PIM2
SCHEMBL20669905 0.84 HTR2C (0.35) MAPTPRKCIPIK3CAPIM1PIM2
SCHEMBL21736061 0.83 HTR2C (0.34) ALDH1A1HSD17B10HIF1APRKCIPIK3CA
SCHEMBL20670196 0.82 KDM4E (0.36) LMNAALDH1A1MAPTSMN1; SMN2PRKCI
SCHEMBL16905707 0.81 PIK3CA (0.44) TSHRPRKCIPIK3CAPIM1PIM2

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 GBA1 1965/4885CYP1A2 20/4885CYP3A4 40/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 GBA1 1965/4885CYP1A2 20/4885CYP3A4 40/4885

“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.