Sugi Predict

Sugi Predict / Compounds / SCHEMBL21671238

SCHEMBL21671238

SCHEMBL21671238

N#Cc1cc(-c2cccc3ccccc23)cc(-c2ccc3c4c(cccc24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.42
▸ STK10 O94804 1/20 0.37
▸ SLK Q9H2G2 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ XDH P47989 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ CYP1A2 P05177 5/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL13170751 0.95 ADORA2A (0.37) MCL1ADORA2ACYP1A2CYP2C19CYP2C9
SCHEMBL13170676 0.92 ADORA2A (0.36) MCL1ADORA2ACYP1A2CYP2C19CYP2C9
SCHEMBL21671486 0.92 ADORA2A (0.36) MCL1ADORA2ACYP1A2CYP2C19CYP2C9
SCHEMBL13170637 0.92 ADORA2A (0.37) MCL1ADORA2ACYP1A2CYP2C19CYP2C9
SCHEMBL21671236 0.89 PIM1 (0.41) MCL1ADORA2AXDHPIM1SLC22A12
SCHEMBL13170674 0.89 GABRA1 (0.36) MCL1ADORA2AALDH1A1MEN1KMT2A
SCHEMBL13192112 0.88 ADRA2C (0.37) MCL1ADORA2AXDHSLC22A12CYP1A2
SCHEMBL13170672 0.87 ADRA2C (0.44) ADORA2AXDHSLC22A12CYP1A2CYP2C19
SCHEMBL13170640 0.87 ADRA2C (0.46) ADORA2ACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL21643660 0.86 PDK2 (0.36) ADORA2AXDHSLC22A12CYP1A2CYP2C19

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-11696495-B2 Organic emitting compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-07-04 — — US disclosed
US-11696495-B2 Organic emitting compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-07-04 — — US disclosed
US-20200044157-A1 Organic Emitting Compound, and Organic Light Emitting Diode and Organic Light Emitting Display Device Including the Same LG DISPLAY CO., LTD. (KR) 2020-02-06 — — 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-11696495-B2 Organic emitting compound, and organic light emitting diode and organic light emitting display device including the same OCIAD1, ALDH1A2, OCIAD2 MCL1 3495/4885STK10 3759/4885SLK 2070/4885
US-20200044157-A1 Organic Emitting Compound, and Organic Light Emitting Diode and Organic Light Emitting Display Device Including the Same OCIAD1, ALDH1A2, OCIAD2 MCL1 3495/4885STK10 3759/4885SLK 2070/4885

“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.