SCHEMBL10000598

SCHEMBL10000598

Cc1c2c(cc3ccncc13)Cc1cccnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
TOP2A P11388 1/20 0.37
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALOX5 P09917 1/20 0.32
NQO2 P16083 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
HRH1 P35367 1/20 0.31
MAP2K4 P45985 1/20 0.31

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
SCHEMBL10000560 0.86 CCR1 (0.37) CYP2A6KDM4ENPC1HSP90AA1L3MBTL1
SCHEMBL10028264 0.84 MAOA (0.48) CYP2A6KDM4EHTTPOLBRAD52
SCHEMBL10000599 0.71 PDK2 (0.37) CYP2A6TOP2AGRM4KDM4EHTT
SCHEMBL10000601 0.71 GAA (0.47) CYP2A6TOP2AGRM4MAOAALOX5
SCHEMBL10027757 0.71 KDM4E (0.39) KDM4EPOLBNPC1DHODH
SCHEMBL25983059 0.71 CYP2A6 (0.39) CYP2A6HTTNPC1HSP90AA1L3MBTL1
SCHEMBL10000620 0.70 CYP2A6 (0.45) CYP2A6NPC1HSP90AA1L3MBTL1HRH1
SCHEMBL15412655 0.69 TNF (0.36) CYP2A6KDM4EHTTPOLBRAD52
SCHEMBL30657488 0.69 TNF (0.36) CYP2A6KDM4EHTTPOLBRAD52
SCHEMBL10000577 0.68 PDGFRB (0.39) KDM4ENPC1

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 501/4885TOP2A 3354/4885GRM4 1097/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885TOP2A 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.