SCHEMBL10000559

SCHEMBL10000559

CC1(C)c2cccnc2-c2c1cc1ccccc1c2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
NQO1 P15559 1/20 0.36
KMT2A Q03164 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HTT P42858 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
OPRK1 P41145 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
HPGD P15428 2/20 0.32

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 0.85 PDK2 (0.36) PDK2KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL10000562 0.84 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19NPC1
SCHEMBL10027758 0.81 KDM4E (0.35) PDK2RAB9AKDM4ESMN1; SMN2NPSR1
SCHEMBL10000580 0.79 KDM4E (0.39) PDK2NQO1KMT2AKDM4ETDP1
SCHEMBL10000570 0.79 KMT2A (0.43) NQO1KMT2ACYP2C19NPC1RAB9A
SCHEMBL10000568 0.77 NQO1 (0.35) NQO1KMT2AKDM4EMEN1
SCHEMBL24349352 0.77 CYP3A4 (0.42) PDK2KMT2ACYP1A2CYP2C19NPC1
SCHEMBL10000599 0.74 PDK2 (0.37) PDK2NPC1KDM4EHTTL3MBTL1
SCHEMBL16134265 0.72 PDK2 (0.36) PDK2KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL16547409 0.71 KDM4E (0.38) PDK2KMT2ACYP1A2CYP2C19NPC1

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 6 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-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-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
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 3422/4885NQO1 830/4885KMT2A 1392/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDK2 3422/4885NQO1 830/4885KMT2A 1392/4885

“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.