SCHEMBL1400610

SCHEMBL1400610

Cn1c(=O)c2[nH]c(N)nc2n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP3A4 P08684 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KDM4E B2RXH2 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ADORA2A P29274 3/20 0.54
CYP1A2 P05177 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA1 P30542 1/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL22521943 0.82 CYP2C9 (0.49) ADORA2BPOLBMAPTALDH1A1HSD17B10
SCHEMBL461786 0.79 PDE2A (0.62) ADORA2BPOLBALDH1A1HSD17B10CYP3A4
SCHEMBL3194191 0.78 ADORA2A (0.59) ADORA2BPOLBALDH1A1HSD17B10CYP3A4
SCHEMBL515792 0.78 POLB (0.57) ADORA2BPOLBALDH1A1HSD17B10CYP3A4
SCHEMBL9122777 0.78 ALDH1A1 (0.59) ADORA2BPOLBMAPTALDH1A1HSD17B10
8-Chlorotheophylline SCHEMBL411139 0.78 POLB (0.57) ADORA2BPOLBMAPTALDH1A1HSD17B10
SCHEMBL20783386 0.78 POLB (0.57) ADORA2BPOLBMAPTALDH1A1HSD17B10
Pamabrom SCHEMBL237881 0.78 POLB (0.61) ADORA2BPOLBALDH1A1HSD17B10CYP3A4
Water SCHEMBL28799658 0.78 PDE2A (0.60) ADORA2BPOLBALDH1A1HSD17B10CYP3A4
SCHEMBL11185440 0.78 POLB (0.57) ADORA2BPOLBMAPTALDH1A1HSD17B10

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1374308-A Antineoplastic active compound nitrene-phin and its prepn MILITARY MEDICAL UNIV NO 2 PLA (CN) 2002-10-16 CN claimed
US-4073908-A PSYCHOTROPIC ACTIVITY LABORATOIRE LE BRUN S.A. (FR) 1978-02-14 US claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 WO disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-0077896-B1 THEOPHYLLINE DERIVATIVES, ANTIBODIES AND THEIR PREPARATION FROM THEOPHYLLINE IMMUNOGENS, AS WELL AS AN IMMUNO ASSAY METHOD AND REAGENT MEANS FOR DETERMINING THEOPHYLLINE MILES INC. (US) 1989-01-25 EP disclosed
US-4655767-A REDUCED SENSITIVITY TO AMINO-FUNCTIONAL DRUGS DOW CORNING CORPORATION (US) 1987-04-07 US disclosed
US-4608336-A DETERMINATION OF THEOPHYLLINE IN BIOLOGICAL FLUIDS MILES LABORATORIES, INC. (US) 1986-08-26 US disclosed
US-4533493-A IMMUNOASSAYS FOR MEASUREMENT OF THEOPHYLLINE IN BIOLOGIACAL FLUIDS MILES LABORATORIES, INC. (US) 1985-08-06 US disclosed
US-4460772-A IMMUNOASSAY MILES LABORATORIES, INC. (US) 1984-07-17 US disclosed
EP-0077896-A1 Theophylline derivatives, antibodies and their preparation from theophylline immunogens, as well as an immuno assay method and reagent means for determining theophylline MILES INC. (US) 1983-05-04 EP disclosed
US-4073908-A PSYCHOTROPIC ACTIVITY LABORATOIRE LE BRUN S.A. (FR) 1978-02-14 US disclosed
US-4073908-A PSYCHOTROPIC ACTIVITY LABORATOIRE LE BRUN S.A. (FR) 1978-02-14 US disclosed
US-4073908-A PSYCHOTROPIC ACTIVITY LABORATOIRE LE BRUN S.A. (FR) 1978-02-14 US disclosed