SCHEMBL22945330

SCHEMBL22945330

c1cncc(-c2nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)nc3c2sc2ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
TGFBR1 P36897 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LIMK1 P53667 1/20 0.32
CYP11B2 P19099 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 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
SCHEMBL22944973 0.93 TGFBR1 (0.35) CYP11B1TGFBR1PIM1PIM2MAPT
SCHEMBL22944880 0.91 MAPK1 (0.34) MAPTALDH1A1HPGDMAPK1HSD17B10
SCHEMBL22945332 0.90 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL22944877 0.89 PDE6D (0.38) PIM1PIM2MAPTALDH1A1HPGD
SCHEMBL22944815 0.88 MAPT (0.34) CYP11B1TGFBR1PIM1PIM2MAPT
SCHEMBL22945010 0.87 MAPT (0.33) CYP11B1TGFBR1MAPTALDH1A1RAB9A
SCHEMBL22944876 0.87 ALDH1A1 (0.32) ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL22945969 0.87 MAPT (0.33) CYP11B1TGFBR1PIM1PIM2MAPT
SCHEMBL22945768 0.86 PDE6D (0.33) ALDH1A1HPGDMAPK1HSD17B10LIMK1
SCHEMBL22945764 0.86 ALDH1A1 (0.34) ALDH1A1HPGDMAPK1HSD17B10

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-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 CYP11B1 630/4885TGFBR1 519/4885PIM1 2938/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 CYP11B1 630/4885TGFBR1 519/4885PIM1 2938/4885

“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.