SCHEMBL14869398

SCHEMBL14869398

CNc1nc(NC)nc(NCc2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.65
ACHE P22303 1/20 0.65
KCNH3 Q9ULD8 3/20 0.61
GAA P10253 2/20 0.61
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
RAD52 P43351 1/20 0.53
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.52
APP P05067 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
UBE2N P61088 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RCE1 Q9Y256 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL14869431 0.93 GAA (0.73) BCHEACHEKCNH3GAACA1
SCHEMBL14869402 0.91 NPSR1 (0.64) BCHEACHEKCNH3GAACA1
SCHEMBL29609599 0.91 NPSR1 (0.64) BCHEACHEKCNH3GAACA1
SCHEMBL18721464 0.91 BCHE (0.56) BCHEACHEKCNH3GAACA1
SCHEMBL28736402 0.91 LMNA (0.60) BCHEACHEKCNH3GAACA1
SCHEMBL3298289 0.89 KCNH3 (0.73) KCNH3GAARAD52LMNAAPP
SCHEMBL11819914 0.87 BCHE (0.52) BCHEACHEKCNH3GAACA1
SCHEMBL13784030 0.87 ALDH1A1 (0.62) BCHEACHEKCNH3GAACA1
SCHEMBL13194932 0.83 APP (0.68) BCHEACHEKCNH3GAACA1
SCHEMBL14869419 0.82 APP (0.65) BCHEACHEKCNH3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191774-B Heterocyclic compound, preparation method and application thereof 中国药科大学 2022-05-24 CN claimed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
CN-108191774-B Heterocyclic compound, preparation method and application thereof 中国药科大学 2022-05-24 CN disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 US disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-9481642-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2016-11-01 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 US disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
WO-2013103384-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 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 (10 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-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG BCHE 881/4885ACHE 1907/4885KCNH3 1787/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 BCHE 969/4885ACHE 2141/4885KCNH3 1951/4885

“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.