SCHEMBL10000582

SCHEMBL10000582

Cc1ccc(-c2cccnc2)cc1-c1ncccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 5/20 0.46
CYP17A1 P05093 2/20 0.46
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
XDH P47989 1/20 0.41
CYP1A2 P05177 2/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 1/20 0.40
PTGS2 P35354 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
SLC2A1 P11166 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL10027761 0.84 STK10 (0.48) CYP11B2CYP11B1CYP17A1MKNK1MKNK2
SCHEMBL3237463 0.79 CYP2A6 (0.56) CYP2A6CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL30332369 0.79 CYP2A6 (0.56) CYP2A6CYP11B2CYP11B1CYP17A1CYP1A2
Hydrochloric Acid SCHEMBL4596482 0.77 CYP2A6 (0.54) CYP2A6CYP11B2CYP11B1CYP17A1CYP1A2
SCHEMBL25392183 0.77 SQOR (0.44) CYP11B2CYP1A2CNR2SQORGSK3B
SCHEMBL10000616 0.76 CYP2A6 (0.42) CYP2A6CNR2GABRA1GABRG2GABRB3
SCHEMBL10000586 0.76 MKNK1 (0.52) CYP2A6MKNK1MKNK2SLC2A1PIM1
SCHEMBL21742636 0.74 CYP11B1 (0.54) CYP2A6CYP11B2CYP11B1CYP17A1MKNK1
SCHEMBL10000551 0.74 TSHR (0.52) CYP2A6CYP11B2CNR2SQORLRRK2
SCHEMBL16593136 0.73 CYP11B1 (0.53) CYP2A6CYP11B2CYP11B1CYP17A1MKNK1

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 501/4885CYP11B2 637/4885CYP11B1 408/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885CYP11B2 637/4885CYP11B1 408/4885

“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.