SCHEMBL10028044

SCHEMBL10028044

COc1ccccc1-c1ncc2ccccc2c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.52
ADORA1 P30542 1/20 0.52
HTT P42858 1/20 0.49
SQOR Q9Y6N5 2/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
PDE10A Q9Y233 2/20 0.42
BLM P54132 1/20 0.42
HPGDS O60760 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL10000554 0.81 LMNA (0.48) ADORA2ASQORALDH1A1SMN1; SMN2KDM4E
SCHEMBL10027987 0.81 SQOR (0.38) ADORA2AADORA1SQORALDH1A1HPGD
SCHEMBL10000563 0.76 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL10027996 0.75 MCL1 (0.45) ADORA2AADORA1HTTSQORALDH1A1
SCHEMBL10028037 0.74 NPC1 (0.50) ADORA2AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5480716 0.73 ADORA2A (0.56) ADORA2AADORA1HTTSQORALDH1A1
SCHEMBL29554478 0.72 HTT (0.58) ADORA2AADORA1HTTSQORALDH1A1
SCHEMBL13946131 0.72 HTT (0.58) ADORA2AADORA1HTTSQORALDH1A1
SCHEMBL29152132 0.71 KDM4E (0.54) ADORA2AADORA1HTTSQORALDH1A1
SCHEMBL1773062 0.71 KDM4E (0.46) ADORA2AHTTALDH1A1HPGDKDM4E

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 ADORA2A 3503/4885ADORA1 1198/4885HTT 4531/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 ADORA2A 3503/4885ADORA1 1198/4885HTT 4531/4885

“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.