Sugi Predict

Sugi Predict / Compounds / SCHEMBL7876576

SCHEMBL7876576

SCHEMBL7876576

CNC(=O)c1ncn2c(=O)n(C)nnc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.69
▸ PABPC1 P11940 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ CA12 O43570 3/20 0.58
▸ CA1 P00915 3/20 0.58
▸ CA2 P00918 3/20 0.58
▸ CA9 Q16790 3/20 0.58
▸ BAZ2B Q9UIF8 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ EED O75530 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TYK2 P29597 1/20 0.30

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
SCHEMBL891881 0.88 MEN1 (0.69) MEN1PABPC1KMT2ACA12CA1
SCHEMBL15788844 0.87 KMT2A (0.72) MEN1PABPC1KMT2ACA12CA1
SCHEMBL26911797 0.86 MEN1 (0.66) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5346750 0.85 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5355079 0.85 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL18737910 0.85 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL892401 0.84 MEN1 (0.77) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3784250 0.84 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
SCHEMBL799678 0.83 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5353245 0.83 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271939-B Imidazole tetrazine compounds 伊利诺伊大学董事会 2025-03-07 — — CN disclosed
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 — — US disclosed
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 — — US disclosed
WO-2023150569-A1 IMIDAZOTETRAZINE COMPOUNDS AND TREATMENT OF TMZ-RESISTANT CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-08-10 — — WO disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 — — US disclosed
WO-2022026756-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2022-02-03 — — WO disclosed
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-10-14 — — US disclosed
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-07 — — US disclosed
WO-2020263888-A1 CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 — — WO disclosed
WO-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 — — WO disclosed
WO-2019243970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES AND CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-12-26 — — WO disclosed
WO-2017062800-A1 TRIGGER-ACTIVATABLE METABOLIC SUGAR PRECURSORS FOR CANCER-SELECTIVE LABELING AND TARGETING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-13 — — WO disclosed
WO-2014141057-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER KANDULA MAHESH (IN) 2014-09-18 — — WO disclosed
WO-2010105110-A1 PHARMACEUTICAL COMBINATIONS COMPRISING RDEA119/BAY 869766 FOR THE TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2010-09-16 — — WO disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS SCHERING CORPORATION 2009-01-22 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7446209-B2 Diazotizing a blocked 5-amino-1H-imidazole-4-carboxamide; hydrolysis; antitumor agents SCHERING CORPORATION (US) 2008-11-04 — — 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 (6 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-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER MCL1, IDH1, IDH2 MEN1 186/4885PABPC1 4308/4885KMT2A 453/4885
US-20090023919-A1 SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS MGMT, TYMS, MCL1 MEN1 42/4885PABPC1 2492/4885KMT2A 334/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B MEN1 882/4885PABPC1 2801/4885KMT2A 524/4885
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 MEN1 736/4885PABPC1 3990/4885KMT2A 159/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN MEN1 914/4885PABPC1 512/4885KMT2A 2630/4885
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 MEN1 736/4885PABPC1 3990/4885KMT2A 159/4885

“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.