SCHEMBL22945366

SCHEMBL22945366

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccncc2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 4/20 0.38
PDE6D O43924 1/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA2A P29274 1/20 0.35
NUDT1 P36639 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK11 Q15759 2/20 0.34

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
SCHEMBL22945335 0.91 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL26736984 0.89 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22945113 0.88 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22945364 0.87 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22944733 0.85 DHODH (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21515476 0.85 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21515466 0.82 METAP1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21515468 0.81 PDE10A (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21515473 0.81 PDE6D (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19980355 0.80 ALDH1A1 (0.46) 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 ALDH1A1 271/4885HPGD 2943/4885KDM4E 1857/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885HPGD 2943/4885KDM4E 1857/4885

“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.