SCHEMBL21736552

SCHEMBL21736552

c1cncc(-c2nc(-n3c4cc5ccccc5cc4c4c5ccccc5ccc43)c3sc4ccccc4c3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 2/20 0.37
HIF1A Q16665 1/20 0.37
GBA1 P04062 8/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL21736036 0.89 GBA1 (0.39) CYP1A2CYP3A4CLK4LMNAMEN1
SCHEMBL21736571 0.88 HTR2C (0.34) PRKCIPIK3CA
SCHEMBL21736227 0.81 KDM4E (0.32) KDM4E
SCHEMBL26743330 0.79 PIK3CA (0.39) LMNAGBA1MAPTNPC1RAB9A
SCHEMBL21736532 0.79 PIM1 (0.44) CYP1A2CYP3A4CLK4LMNAMEN1
SCHEMBL21736192 0.78 TNKS (0.30)
SCHEMBL21736115 0.78 HRH4 (0.32) PIK3CA
SCHEMBL22211877 0.78 PIK3CA (0.36) PRKCIPIK3CA
SCHEMBL24036647 0.77 TNKS (0.32) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL21735859 0.76 HTR2C (0.36) PRKCIPIK3CAPIM1PIM2

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 CYP1A2 20/4885CYP3A4 40/4885CLK4 1975/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 CYP1A2 20/4885CYP3A4 40/4885CLK4 1975/4885

“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.