SCHEMBL6047280

SCHEMBL6047280

CNCc1cccnc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 1/20 0.54
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 1/20 0.45
SLC13A5 Q86YT5 1/20 0.43
HTR2B P41595 1/20 0.43
APLNR P35414 1/20 0.41
BTK Q06187 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30980822 0.81 KDM1A (0.50) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL13428815 0.81 KDM1A (0.50) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL91503 0.79 SLC13A5 (0.50) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL30420959 0.78 KDM1A (0.48) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL10863438 0.78 HTR2A (0.57) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL22797156 0.78 CYP2C19 (0.39) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL30980804 0.78 HTR2A (0.57) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL3414085 0.78 KDM1A (0.51) KDM1AMAOAMAOBHTR2AHTR2C
O-Xylene SCHEMBL27951445 0.78 KMT2A (0.50) KDM1AHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6376093 0.78 KDM1A (0.50) KDM1AMAOAMAOBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP 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 (3 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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 KDM1A 1886/4885MAOA 132/4885MAOB 96/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS KDM1A 505/4885MAOA 1721/4885MAOB 1301/4885
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM1A 2919/4885MAOA 1170/4885MAOB 858/4885

“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.