SCHEMBL10000599

SCHEMBL10000599

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
TOP2A P11388 1/20 0.36
GRM4 Q14833 1/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
MAPK10 P53779 1/20 0.30

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
SCHEMBL10000597 0.87 PDK2 (0.36) PDK2TOP2AGRM4CYP2A6KDM4E
SCHEMBL10000562 0.86 PDK2 (0.39) PDK2CYP2A6KDM4EPOLBNPC1
SCHEMBL10028266 0.85 MAOA (0.47) PDK2GRM4KDM4EHTTPOLB
SCHEMBL10000559 0.74 PDK2 (0.38) PDK2KDM4EHTTNPC1HSP90AA1
SCHEMBL10027758 0.72 KDM4E (0.35) PDK2KDM4EPOLB
SCHEMBL10000598 0.71 CYP2A6 (0.39) TOP2AGRM4CYP2A6KDM4EHTT
SCHEMBL26710546 0.71 TNF (0.33) PDK2
SCHEMBL10000619 0.71 PDK2 (0.46) PDK2CYP2A6KDM4EPOLBNPC1
SCHEMBL10000601 0.70 GAA (0.47) TOP2AGRM4CYP2A6MAOA
SCHEMBL1335900 0.70 PDK2 (0.43) PDK2CYP2A6KDM4EPOLBNPC1

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 PDK2 3422/4885TOP2A 3354/4885GRM4 1097/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDK2 3422/4885TOP2A 3354/4885GRM4 1097/4885

“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.