SCHEMBL10000581

SCHEMBL10000581

Cc1ccc(-c2cccnc2)cc1OBO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.49
MKNK2 Q9HBH9 5/20 0.49
S1PR1 P21453 2/20 0.48
SLC2A1 P11166 1/20 0.46
CYP11B2 P19099 6/20 0.46
CYP19A1 P11511 6/20 0.46
CYP11B1 P15538 5/20 0.46
CYP17A1 P05093 3/20 0.46
CYP2A6 P11509 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
RET P07949 2/20 0.44
KDR P35968 2/20 0.44
RIPK2 O43353 1/20 0.44
MAPK14 Q16539 1/20 0.44
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL4030646 0.81 S1PR1 (0.67) MKNK1MKNK2S1PR1SLC2A1CYP11B2
SCHEMBL12165875 0.77 CYP19A1 (0.65) MKNK1MKNK2S1PR1CYP11B2CYP19A1
SCHEMBL14506746 0.76 MKNK1 (0.61) MKNK1MKNK2SLC2A1CYP11B2CYP19A1
SCHEMBL15681726 0.75 CYP2A6 (0.50) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL26936613 0.74 MKNK1 (0.62) MKNK1MKNK2SLC2A1CYP11B2CYP19A1
SCHEMBL19754732 0.74 CYP2A6 (0.54) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL26652610 0.72 CHRNB2 (0.41) CYP11B2CYP11B1CYP2A6CYP3A4CYP1A2
SCHEMBL1911847 0.72 NPC1 (0.65) MKNK1MKNK2S1PR1SLC2A1CYP11B2
SCHEMBL2479962 0.71 CYP2A6 (0.65) MKNK1MKNK2CYP11B2CYP19A1CYP11B1
SCHEMBL2377996 0.71 MKNK1 (0.58) MKNK1MKNK2CYP11B2CYP19A1CYP11B1

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 MKNK1 3616/4885MKNK2 3889/4885S1PR1 4059/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 MKNK1 3616/4885MKNK2 3889/4885S1PR1 4059/4885

“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.