SCHEMBL21711285

SCHEMBL21711285

C#CCn1nnc2c(Cl)ncn2c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36
ADORA3 P0DMS8 2/20 0.33
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL26321498 0.84 ADORA2B (0.37) ADORA2BGLABLMADORA3MEN1
SCHEMBL22868408 0.82 ADORA2B (0.40) ADORA2BGLABLMADORA3MEN1
SCHEMBL892211 0.79 MEN1 (0.47) ADORA2BGLABLMADORA3MEN1
SCHEMBL9955714 0.78 ADORA2B (0.36) ADORA2BGLABLMADORA3MEN1
SCHEMBL9957793 0.78 CA12 (0.34) ADORA2BGLABLMADORA3MEN1
SCHEMBL892436 0.78 MEN1 (0.46) ADORA2BGLABLMADORA3MEN1
SCHEMBL2452822 0.78 MEN1 (0.59) ADORA2BGLABLMADORA3MEN1
SCHEMBL25434536 0.75 MEN1 (0.43) ADORA2BGLABLMADORA3MEN1
SCHEMBL9957507 0.75 ADORA2B (0.34) ADORA2BGLABLMADORA3MEN1
SCHEMBL10147007 0.75 ADORA2B (0.34) ADORA2BGLABLMADORA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129083-A1 IMIDAZOTETRAZINE COMPOUNDS AND TREATMENT OF TMZ-RESISTANT CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-04-24 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
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
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-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-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 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 (4 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 ADORA2B 3556/4885GLA 470/4885BLM 2834/4885
US-20250129083-A1 IMIDAZOTETRAZINE COMPOUNDS AND TREATMENT OF TMZ-RESISTANT CANCERS MGMT, MPG, UNG ADORA2B 3863/4885GLA 1214/4885BLM 396/4885
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 ADORA2B 3741/4885GLA 992/4885BLM 2535/4885
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 ADORA2B 3741/4885GLA 992/4885BLM 2535/4885

“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.