Sugi Predict

Sugi Predict / Compounds / SCHEMBL22921111

SCHEMBL22921111

SCHEMBL22921111

Cc1cccnc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ RAC2 P15153 1/20 0.33
▸ RAC3 P60763 1/20 0.33
▸ CDC42 P60953 1/20 0.33
▸ RAC1 P63000 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ DHFR P00374 1/20 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
SCHEMBL22921078 1.00 CYP2A6 (0.39) CYP2A6TRPV1KDM4EL3MBTL1ATM
SCHEMBL22921139 0.93 CYP2A6 (0.44) CYP2A6TRPV1KDM4EL3MBTL1ATM
SCHEMBL26817636 0.92 CYP2A6 (0.35) CYP2A6TRPV1KDM4EL3MBTL1ATM
SCHEMBL22921141 0.90 SMO (0.36) CYP2A6TRPV1
SCHEMBL22921136 0.86 PTGER4 (0.37) CYP2A6NPC1
SCHEMBL12699601 0.86 TRPV1 (0.42) CYP2A6TRPV1KDM4EL3MBTL1ATM
SCHEMBL22921110 0.85 CYP2A6 (0.39) CYP2A6TRPV1KDM4EL3MBTL1ATM
SCHEMBL22921140 0.84 NPC1 (0.34) CYP2A6TRPV1NPY5RMAPTNPC1
SCHEMBL22921102 0.84 NPY5R (0.36) KDM4EL3MBTL1ATMNPY5RRAC2
SCHEMBL22921100 0.84 KDM4E (0.33) KDM4EL3MBTL1ATMNPY5RRAC2

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 318/4885TRPV1 320/4885KDM4E 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 318/4885TRPV1 320/4885KDM4E 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.