SCHEMBL22944733

SCHEMBL22944733

c1ccc(-c2ccc(-c3nc(N4c5ccccc5-c5cccc6cccc4c56)nc4ccccc34)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.37
PDE6D O43924 1/20 0.36
METAP1 P53582 4/20 0.36
MAPK1 P28482 3/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
TGFBR1 P36897 1/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL22945337 0.92 DHODH (0.39) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL21515466 0.91 METAP1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22945999 0.90 L3MBTL1 (0.37) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL22945005 0.89 ALDH1A1 (0.37) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL21515465 0.88 PDE6D (0.41) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL21515476 0.86 ALDH1A1 (0.38) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL22945366 0.85 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22945147 0.83 METAP1 (0.38) DHODHALDH1A1HPGDKDM4EMAPT
SCHEMBL22945518 0.83 METAP1 (0.38) ALDH1A1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL21515468 0.81 PDE10A (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 DHODH 1814/4885ALDH1A1 271/4885HPGD 2943/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 DHODH 1814/4885ALDH1A1 271/4885HPGD 2943/4885

“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.