SCHEMBL10000601

SCHEMBL10000601

Cc1c2c(cc3ccncc13)C(=O)c1cccnc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TDP2 O95551 2/20 0.44
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PLCG1 P19174 1/20 0.44
CES1 P23141 1/20 0.44
PAX8 Q06710 1/20 0.44
RIN1 Q13671 1/20 0.44
CTSL P07711 1/20 0.41
PTPRC P08575 1/20 0.41
CTSS P25774 1/20 0.41
PTPN13 Q12923 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.39
CDC25B P30305 2/20 0.39
S100A4 P26447 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
SCHEMBL10000558 0.86 GAA (0.50) GAATDP2NSD2ABL1PLCG1
SCHEMBL10028269 0.85 MAOA (0.47) GAATDP2NSD2ABL1PLCG1
SCHEMBL10000622 0.74 GAA (0.56) GAATDP2NSD2ABL1PLCG1
SCHEMBL10027755 0.72 GAA (0.46) GAATDP2NSD2ABL1PLCG1
SCHEMBL10000549 0.71 GAA (0.62) GAATDP2NSD2ABL1PLCG1
SCHEMBL10000598 0.71 CYP2A6 (0.39) ALOX5TOP2AMAOADRD1CYP2A6
SCHEMBL10000599 0.70 PDK2 (0.37) TOP2AMAOACYP2A6GRM4
SCHEMBL9673159 0.70 MAOA (0.66) GAATDP2NSD2ABL1PLCG1
SCHEMBL9672513 0.70 MAOA (0.66) GAATDP2NSD2ABL1PLCG1
SCHEMBL10000578 0.68 CA12 (0.41) ABL1MEN1KMT2AALOX5SCN9A

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 GAA 2857/4885TDP2 4372/4885NSD2 1375/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 GAA 2857/4885TDP2 4372/4885NSD2 1375/4885

“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.