SCHEMBL10000595

SCHEMBL10000595

Cc1c(OBO)ccc2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAOA P21397 2/20 0.38
MAPK10 P53779 5/20 0.36
HIPK2 Q9H2X6 1/20 0.35
TNF P01375 2/20 0.33
TOP2A P11388 1/20 0.33
NOTUM Q6P988 2/20 0.33
PLAU P00749 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
WNT3A P56704 1/20 0.32
DHODH Q02127 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL25958963 0.79 MAOA (0.54) CLK1DYRK1AMAOATNFPLAU
SCHEMBL10000556 0.77 NCEH1 (0.53) NCEH1
SCHEMBL26652610 0.73 CHRNB2 (0.41) NOTUM
SCHEMBL10000617 0.73 SIRT3 (0.36) NOTUM
SCHEMBL8404561 0.70 CYP2A6 (0.52) CLK1DYRK1AMAOAMAPK10HIPK2
SCHEMBL672509 0.69 CLK1 (0.54) CLK1DYRK1AMAOAMAPK10HIPK2
SCHEMBL29569821 0.69 CLK1 (0.54) CLK1DYRK1AMAOAMAPK10HIPK2
SCHEMBL9827442 0.68 MAOA (0.43) MAOAMAPK10HIPK2
P-Xylene SCHEMBL1420125 0.68 ACHE (0.46) CLK1DYRK1AMAOAMAPK10HIPK2
SCHEMBL29129334 0.67 AXL (0.46) CLK1DYRK1AMAOAMAPK10HIPK2

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 CLK1 1465/4885DYRK1A 4481/4885MAOA 930/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CLK1 1465/4885DYRK1A 4481/4885MAOA 930/4885

“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.