SCHEMBL10028263

SCHEMBL10028263

COc1cnccc1-c1ncccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATR Q13535 1/20 0.39
CLK1 P49759 2/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
HTT P42858 1/20 0.39
CLK3 P49761 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3293427 0.84 ALDH1A1 (0.47) PDE4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10000616 0.81 CYP2A6 (0.42) PDE4BALDH1A1SMN1; SMN2CLK1CLK2
SCHEMBL10027761 0.78 STK10 (0.48) NPC1ALDH1A1SMN1; SMN2KDM4ECYP19A1
SCHEMBL3287308 0.78 UGCG (0.46) PDE4BNPC1RAB9ASCN9A
SCHEMBL10028270 0.77 MAOA (0.41) PDE4BCLK1CLK2DYRK1ACLK4
SCHEMBL3287557 0.75 SCN9A (0.46) PDE4BNPC1RAB9ASCN9ADRD2
SCHEMBL1024738 0.74 CLK1 (0.44) ALDH1A1SMN1; SMN2CLK1CLK2DYRK1A
SCHEMBL29530507 0.74 CLK1 (0.44) ALDH1A1SMN1; SMN2CLK1CLK2DYRK1A
SCHEMBL28652835 0.74 GCK (0.42) PDE4BNPC1RAB9ASCN9AALDH1A1
SCHEMBL31114552 0.73 KDM4E (0.46) ALDH1A1SMN1; SMN2HTTKDM4EMAPT

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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDE4B 4842/4885NPC1 1702/4885RAB9A 720/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDE4B 4842/4885NPC1 1702/4885RAB9A 720/4885

“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.