SCHEMBL10000616

SCHEMBL10000616

Cc1cnccc1-c1ncccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
HTT P42858 1/20 0.41
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.39
LRRK2 Q5S007 2/20 0.39
CYP19A1 P11511 1/20 0.38
PDE4B Q07343 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TGFBR1 P36897 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL10000551 0.82 TSHR (0.52) CYP2A6CNR2TSHRLRRK2PDE4B
SCHEMBL10028263 0.81 PDE4B (0.42) HTTCNR2CYP19A1PDE4BCLK1
SCHEMBL10000596 0.79 NCOA3 (0.43) CYP2A6HTTCNR2LRRK2PDE4B
SCHEMBL31114552 0.77 KDM4E (0.46) HTTCNR2TSHRTRPV1ALDH1A1
SCHEMBL10000582 0.76 CYP2A6 (0.49) CYP2A6CNR2LRRK2CYP19A1CLK2
SCHEMBL8311135 0.76 HPGD (0.43) HTTCNR2TSHRPDE4BTRPV1
SCHEMBL31267979 0.75 CNR2 (0.49) HTTCNR2TSHRLRRK2TRPV1
SCHEMBL3999181 0.74 PDE4B (0.37) CNR2TSHRLRRK2PDE4BTGFBR1
SCHEMBL8312178 0.74 PDE4B (0.55) LRRK2PDE4BALDH1A1NCOA3HPGD
SCHEMBL30332369 0.73 CYP2A6 (0.56) CYP2A6HTTCNR2CLK1ALDH1A1

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 CYP2A6 501/4885HTT 4531/4885CNR2 3357/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885HTT 4531/4885CNR2 3357/4885

“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.