SCHEMBL10109753

SCHEMBL10109753

CC(C)(C)Cn1nc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 2/20 0.34
GRM2 Q14416 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
FDPS P14324 1/20 0.33
SRC P12931 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 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
SCHEMBL203923 0.75 AKT1 (0.33) KDM4EHPGDMAPTL3MBTL1GAA
SCHEMBL28341512 0.74 MPO (0.33) KDM4EMAPTL3MBTL1MEN1KMT2A
SCHEMBL6229399 0.73 HTT (0.45) KDM4EHPGDMAPTL3MBTL1MEN1
SCHEMBL13817406 0.72 KDM4E (0.46) KDM4EHPGDMAPTL3MBTL1MEN1
SCHEMBL25002441 0.72 AR (0.48) KDM4EHPGDMAPTL3MBTL1GAA
SCHEMBL21008390 0.72 AR (0.48) KDM4EHPGDMAPTL3MBTL1GAA
SCHEMBL21677885 0.71 MAPT (0.40) KDM4EHPGDMAPTL3MBTL1MEN1
SCHEMBL6229314 0.70 POLB (0.48) KDM4EHPGDMAPTL3MBTL1MEN1
SCHEMBL10109755 0.70 ADORA2A (0.40) MEN1KMT2AGAAPKMSRC
SCHEMBL11985476 0.70 ALDH1A1 (0.46) KDM4EHPGDMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840397-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2020-11-17 US disclosed
US-10461201-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2019-10-29 US disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
EP-2941474-B1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORP (JP) 2018-02-28 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-20150340519-A1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2015-11-26 US disclosed
US-20150340519-A1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2015-11-26 US disclosed
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-11-19 US disclosed
WO-2015168439-A1 INORGANIC OXIDE COATED FLUORESCENT CHROMOPHORES FOR USE IN HIGHLY PHOTOSTABLE WAVELENGTH CONVERSION FILMS NITTO DENKO CORPORATION (JP) 2015-11-05 WO disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
WO-2014197393-A1 PHOTOSTABLE WAVELENGTH CONVERSION COMPOSITION NITTO DENKO CORPORATION (JP) 2014-12-11 WO disclosed
WO-2014107606-A2 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2014-07-10 WO disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 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 (4 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-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 3792/4885HPGD 684/4885MAPT 2633/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885HPGD 1186/4885MAPT 4552/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885HPGD 1186/4885MAPT 4552/4885
US-20150329558-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885HPGD 1186/4885MAPT 4552/4885

“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.