Sugi Predict

Sugi Predict / Compounds / SCHEMBL22921139

SCHEMBL22921139

SCHEMBL22921139

Cc1cccnc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTT P42858 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
SCHEMBL22921111 0.93 CYP2A6 (0.39) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL22921078 0.93 CYP2A6 (0.39) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL22921110 0.91 CYP2A6 (0.39) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL22921136 0.87 PTGER4 (0.37) CYP2A6NPC1
SCHEMBL26817636 0.85 CYP2A6 (0.35) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL14867349 0.85 CYP2A6 (0.40) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL22921141 0.84 SMO (0.36) CYP2A6TRPV1
SCHEMBL12699601 0.83 TRPV1 (0.42) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL13589039 0.83 TRPV1 (0.44) CYP2A6L3MBTL1KDM4EATMCNR2
SCHEMBL22921144 0.83 CYP2A6 (0.33) CYP2A6L3MBTL1KDM4EATMCNR2

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-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-11-14 — — US disclosed
US-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-11-14 — — US disclosed
US-20210024509-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2021-01-28 — — 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-11814374-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, OCIAD2, AOX1 CYP2A6 318/4885L3MBTL1 313/4885KDM4E 3174/4885
US-20210024509-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME OCIAD1, OCIAD2, AOX1 CYP2A6 318/4885L3MBTL1 313/4885KDM4E 3174/4885

“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.