SCHEMBL10000596

SCHEMBL10000596

Cc1c(-c2ncccc2C#N)ccc2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.43
HTT P42858 1/20 0.43
CLK1 P49759 2/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CNR2 P34972 1/20 0.39
TNF P01375 2/20 0.36
PDE4B Q07343 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PIP4K2A P48426 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 1/20 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
SCHEMBL10000557 0.86 KDM4E (0.42) HTTCNR2PDE4BLRRK2KDM4E
SCHEMBL10028270 0.85 MAOA (0.41) NCOA3HTTCLK1CLK2CLK3
SCHEMBL10000616 0.79 CYP2A6 (0.42) NCOA3HTTCLK1CLK2CLK3
SCHEMBL10000600 0.75 KDM4E (0.51) HTTKDM4EMAPT
SCHEMBL10028263 0.72 PDE4B (0.42) HTTCLK1CLK2CLK3CDK5
SCHEMBL10027754 0.72 PDE4B (0.43) CNR2PDE4BLRRK2KDM4EMAPT
SCHEMBL7015267 0.71 HTT (0.73) NCOA3HTTCLK1CLK2CLK3
SCHEMBL10000551 0.70 TSHR (0.52) CNR2PDE4BLRRK2TGFBR1CYP2A6
SCHEMBL31267979 0.70 CNR2 (0.49) HTTCNR2LRRK2KDM4EMAPT
SCHEMBL29650579 0.69 HTT (0.42) NCOA3HTTCLK1CLK2CLK3

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 NCOA3 1710/4885HTT 4531/4885CLK1 1465/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 NCOA3 1710/4885HTT 4531/4885CLK1 1465/4885

“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.