SCHEMBL799678

SCHEMBL799678

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

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.75
PABPC1 P11940 1/20 0.75
KMT2A Q03164 1/20 0.75
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
PTGS2 P35354 3/20 0.34
HCAR3 P49019 1/20 0.33
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KCNJ1 P48048 1/20 0.31
ADORA2B P29275 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
SCHEMBL892401 0.89 MEN1 (0.77) MEN1PABPC1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL1335355 0.87 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5353245 0.87 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3739 0.86 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3270220 0.86 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891470 0.86 MEN1 (0.73) MEN1PABPC1KMT2ACA12CA1
SCHEMBL18034974 0.85 MEN1 (0.68) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3784250 0.84 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL4746638 0.84 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL1534013 0.84 MEN1 (0.97) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124462-A9 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) 2024-04-18 US claimed
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 claimed
CN-113271939-B Imidazole tetrazine compounds 伊利诺伊大学董事会 2025-03-07 CN disclosed
US-12234240-B2 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) 2025-02-25 US disclosed
US-20240124462-A9 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) 2024-04-18 US disclosed
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 US 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
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
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
US-20230167120-A1 ARYL-FUSED ISOSELENAZOLE COMPOUND CONTAINING TETRAZINE SUBSTITUENT, SYNTHESIS METHOD THEREFOR, AND USE THEREOF KEAISE MEDICINE WUHAN CORP. (CN) 2023-06-01 US disclosed
US-20230141718-A1 METHODS OF TREATING GLIOBLASTOMA CELGENE QUANTICEL RESEARCH, INC. (US) 2023-05-11 US disclosed
US-8785371-B2 Drug delivery of temozolomide for systemic based treatment of cancer CEDARS-SINAI MEDICAL CENTER (US) 2014-07-22 US disclosed
US-20140161762-A1 DRUG DELIVERY OF TEMOZOLOMIDE FOR SYSTEMIC BASED TREATMENT OF CANCER CEDARS-SINAI MEDICAL CENTER (US) 2014-06-12 US disclosed
US-20140161762-A1 DRUG DELIVERY OF TEMOZOLOMIDE FOR SYSTEMIC BASED TREATMENT OF CANCER CEDARS-SINAI MEDICAL CENTER (US) 2014-06-12 US disclosed
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2014-03-20 US disclosed
US-8673876-B2 Pharmaceutical combinations for treatment of specific cancers ARDEA BIOSCIENCES INC. (US) 2014-03-18 US disclosed
US-20130012706-A1 Methods and Intermediates for the Synthesis of 4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazines PHARMINOX LIMITED (GB) 2013-01-10 US disclosed
US-20120328555-A1 DRUG DELIVERY OF TEMOZOLOMIDE FOR SYSTEMIC BASED TREATMENT OF CANCER CEDARS-SINAI MEDICAL CENTER (US) 2012-12-27 US disclosed
US-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS ARDEA BIOSCIENCES, INC. (US) 2012-03-22 US disclosed
US-7173021-B2 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TIANJIN NORTH PHARM SCI-TECH CO., LTD. (CN) 2007-02-06 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 (11 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-20130012706-A1 Methods and Intermediates for the Synthesis of 4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazines H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA6, TALDO1 MEN1 216/4885PABPC1 4575/4885KMT2A 327/4885
US-20230167120-A1 ARYL-FUSED ISOSELENAZOLE COMPOUND CONTAINING TETRAZINE SUBSTITUENT, SYNTHESIS METHOD THEREFOR, AND USE THEREOF TXNRD1, TXNRD3, TXNRD2 MEN1 2432/4885PABPC1 4046/4885KMT2A 1921/4885
US-20120328555-A1 DRUG DELIVERY OF TEMOZOLOMIDE FOR SYSTEMIC BASED TREATMENT OF CANCER TFRC, MET, LIFR MEN1 2166/4885PABPC1 2773/4885KMT2A 487/4885
US-20140161762-A1 DRUG DELIVERY OF TEMOZOLOMIDE FOR SYSTEMIC BASED TREATMENT OF CANCER TFRC, MET, LIFR MEN1 2166/4885PABPC1 2773/4885KMT2A 487/4885
US-20240124462-A9 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-12234240-B2 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-20120071435-A1 PHARMACEUTICAL COMBINATIONS COMPRISING FOR THE TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS MEN1 136/4885PABPC1 1831/4885KMT2A 2067/4885
US-20230141718-A1 METHODS OF TREATING GLIOBLASTOMA MGMT, ELAVL3, IDH3B MEN1 1141/4885PABPC1 2204/4885KMT2A 458/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B MEN1 882/4885PABPC1 2801/4885KMT2A 524/4885
US-20140080783-A1 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF SPECIFIC CANCERS TP53, KRAS, PAICS MEN1 163/4885PABPC1 2174/4885KMT2A 1522/4885

“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.