SCHEMBL22945339

SCHEMBL22945339

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cccc3cccnc23)c2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
AHR P35869 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL22945336 0.92 HPGD (0.36) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL21515468 0.91 PDE10A (0.39) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL22945687 0.86 PDE6D (0.39) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL22945518 0.86 METAP1 (0.38) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL26736986 0.85 PDE10A (0.36) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL21515299 0.84 PDE10A (0.36) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL21515476 0.83 ALDH1A1 (0.38) PDE10AALDH1A1HPGDGAACYP1A2
SCHEMBL22945335 0.83 ALDH1A1 (0.40) PDE10AALDH1A1HPGDKDM4EMAPT
SCHEMBL22945337 0.83 DHODH (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22945521 0.82 CYP11B1 (0.41) 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 PDE10A 4288/4885ALDH1A1 271/4885HPGD 2943/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE10A 4288/4885ALDH1A1 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.