SCHEMBL4100127

SCHEMBL4100127

CC(C)(C)c1n[nH]c(-c2nccc3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2A6 P11509 1/20 0.41
NPY5R Q15761 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
NCF1 P14598 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL2945434 0.72 KDM4E (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL2251181 0.72 SMN1; SMN2 (0.60) KDM4ENPC1RAB9AL3MBTL1F12
SCHEMBL199273 0.71 PLAU (0.60) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL29923403 0.71 PLAU (0.60) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL15828722 0.71 MEN1 (0.58) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL16681216 0.71 NPC1 (0.37) KDM4ENPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL30522769 0.69 PLAU (0.58) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL4510166 0.69 MAPT (0.46) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL1906154 0.69 KDM4E (0.51) KDM4ENPC1RAB9AMAPTL3MBTL1
SCHEMBL1288464 0.68 KMT2A (0.49) KDM4ENPC1RAB9AMAPTL3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557988-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-10-15 US disclosed
US-8557988-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-10-15 US disclosed
US-8557988-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-10-15 US disclosed
US-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-03 US disclosed
US-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-03 US disclosed
US-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-03 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2009-08-20 US disclosed
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2009-08-20 US disclosed
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2009-08-20 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-20130005975-A1 EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF ORC3, IK, NCL KDM4E 3391/4885NPC1 1758/4885RAB9A 2425/4885
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof ORC3, EML4, NCL KDM4E 3491/4885NPC1 1377/4885RAB9A 2510/4885

“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.