SCHEMBL1096040

SCHEMBL1096040

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.81
NT5E P21589 1/20 0.76
KRAS P01116 4/20 0.73
FUT5 Q11128 1/20 0.72
P2RY6 Q15077 2/20 0.68
P2RY2 P41231 1/20 0.68
P2RY4 P51582 1/20 0.68
P2RX3 P56373 2/20 0.68
ENPP1 P22413 2/20 0.66
P2RY1 P47900 2/20 0.66
P2RY12 Q9H244 1/20 0.66
IMPDH2 P12268 5/20 0.65
P2RX1 P51575 1/20 0.65
P2RY11 Q96G91 1/20 0.65
P2RX4 Q99571 1/20 0.65
IMPDH1 P20839 1/20 0.65
DCPS Q96C86 1/20 0.65
RNASEL Q05823 1/20 0.64

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
SCHEMBL5172347 1.00 TGM2 (0.81) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL20578209 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL20302658 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
SCHEMBL28850747 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
SCHEMBL28353381 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
Guanosine Triphosphate SCHEMBL27989290 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
SCHEMBL28001538 0.99 TGM2 (0.80) TGM2NT5EKRASFUT5P2RY6
SCHEMBL23969756 0.99 TGM2 (0.82) TGM2NT5EKRASFUT5P2RY6
SCHEMBL18785111 0.99 TGM2 (0.82) TGM2NT5EKRASFUT5P2RY6
SCHEMBL101367 0.99 TGM2 (0.82) TGM2NT5EKRASFUT5P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113101908-A Hybrid ligand hierarchical pore metal organic framework material and preparation method and application thereof 华南理工大学 2021-07-13 CN claimed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
EP-4358953-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A KRAS G12C INHIBITOR AND USES THEREOF FOR THE TREATMENT OF CANCERS Novartis AG (CH) 2024-05-01 EP disclosed
US-20240082218-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A KRAS G12C INHIBITOR AND USES OF A KRAS G12C INHIBITOR FOR THE TREATMENT OF CANCERS NOVARTIS PHARMA AG (CH) 2024-03-14 US disclosed
CN-117618654-A Antibacterial angiogenesis-promoting nylon6 material and preparation method thereof 中维化纤股份有限公司 2024-03-01 CN disclosed
US-20240066009-A1 COMPOSITIONS AND METHODS FOR THE MODULATION OF THE CORTICOTROPIN RELEASING FACTOR BINDING PROTEIN AND THE TREATMENT OF ALCOHOL USE DISORDER Sanford Burnham Prebys Medical Discovery Institute 2024-02-29 US disclosed
CN-117529314-A Pharmaceutical combinations comprising KRAS G12C inhibitors and their use for the treatment of cancer 诺华股份有限公司 2024-02-06 CN disclosed
US-11866754-B2 Trinucleotide mRNA cap analogs MODERNATX, INC. (US) 2024-01-09 US disclosed
EP-4267134-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A KRAS G12C INHIBITOR AND USES OF A KRAS G12C INHIBITOR FOR THE TREATMENT OF CANCERS Novartis AG (CH) 2023-11-01 EP disclosed
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2023-09-14 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060293364-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK & CO., INC. 2006-12-28 US disclosed
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US disclosed
EP-1683794-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof Arena Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1599469-B1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2006-06-07 EP disclosed
EP-1599469-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2005-11-30 EP disclosed
WO-2005044816-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-05-19 WO 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 (9 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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 TGM2 438/4885NT5E 1538/4885KRAS 3888/4885
US-20060293364-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment HCAR1, HCAR2, FFAR1 TGM2 3239/4885NT5E 368/4885KRAS 3148/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 TGM2 438/4885NT5E 1538/4885KRAS 3888/4885
US-20240066009-A1 COMPOSITIONS AND METHODS FOR THE MODULATION OF THE CORTICOTROPIN RELEASING FACTOR BINDING PROTEIN AND THE TREATMENT OF ALCOHOL USE DISORDER CRHBP, GRIN2C, GRIN2B TGM2 2149/4885NT5E 2689/4885KRAS 4419/4885
US-20240082218-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A KRAS G12C INHIBITOR AND USES OF A KRAS G12C INHIBITOR FOR THE TREATMENT OF CANCERS KRAS, NRAS, PTPN1 TGM2 1842/4885NT5E 2830/4885KRAS 1/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 TGM2 1032/4885NT5E 2539/4885KRAS 3049/4885
US-11866754-B2 Trinucleotide mRNA cap analogs RNGTT, RNMT, CPSF7 TGM2 3089/4885NT5E 375/4885KRAS 2731/4885
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION ENTPD1, ENTPD2, ENTPD5 TGM2 767/4885NT5E 9/4885KRAS 2465/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 TGM2 1032/4885NT5E 2539/4885KRAS 3049/4885

“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.