SCHEMBL7774756

SCHEMBL7774756

CCCCNc1nc(C)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.53
TLR7 Q9NYK1 6/20 0.53
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
CDK9 P50750 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SLC29A1 Q99808 1/20 0.44

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
SCHEMBL14869355 0.95 TLR8 (0.51) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL24325488 0.93 TLR8 (0.50) TLR8TLR7KMT2A
SCHEMBL1935887 0.89 KMT2A (0.44) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL3295986 0.88 TLR8 (0.55) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL554834 0.88 TLR8 (0.55) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL28589569 0.88 TLR8 (0.55) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL7774641 0.86 SLC29A1 (0.50) TLR8TLR7ALDH1A1LMNAMAPK1
SCHEMBL20627272 0.85 TLR8 (0.51) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL20756880 0.83 TLR8 (0.50) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL7776192 0.83 KMT2A (0.56) TLR8TLR7KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2941245-B1 DELAYED-RELEASE COMPOSITION COMPRISING BIGUANIDE ANJI PHARMACEUTICALS INC (US) 2024-06-26 EP disclosed
US-20230312877-A1 NON-HALOGENATED MULTI-MELAMINE FLAME-RETARDANT COMPOUNDS AND SALTS THEREOF AND PROCESSES FOR THEIR PREPARATION STATE OF ISRAEL, PRIME MINISTER'S OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2023-10-05 US disclosed
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
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
EP-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP 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
WO-2014011926-A1 COMPOSITIONS COMPRISING STATINS, BIGUANIDES AND FURTHER AGENTS FOR REDUCING CARDIOMETABOLIC RISK ELCELYX THERAPEUTICS, INC. (US) 2014-01-16 WO disclosed
WO-2013103384-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 US disclosed
WO-2013103919-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 US 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
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 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 (8 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-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-20130177604-A1 Compositions and Methods of Treating Metabolic Disorders FABP2, GPR119, PNLIP TLR8 2771/4885TLR7 3560/4885KDM4E 3266/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 TLR8 2317/4885TLR7 2112/4885KDM4E 2303/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG TLR8 2335/4885TLR7 2208/4885KDM4E 2197/4885

“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.