SCHEMBL3336299

SCHEMBL3336299

CN(C)C(=O)c1ncn2c(=O)n(CCCl)nnc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PABPC1 P11940 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL10643552 0.84 MEN1 (0.48) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10644355 0.84 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
Mitozolomide SCHEMBL97695 0.83 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL25600791 0.82 MEN1 (0.44) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3336603 0.82 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
SCHEMBL31452009 0.82 MEN1 (0.42) MEN1PABPC1KMT2ACA12CA1
SCHEMBL26321492 0.81 MEN1 (0.43) MEN1PABPC1KMT2ACA12CA1
Water SCHEMBL10648619 0.81 MEN1 (0.46) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10646065 0.81 MEN1 (0.69) MEN1PABPC1KMT2ACA12CA1
SCHEMBL25434387 0.81 MEN1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 US claimed
US-5260291-A Tetrazine derivatives CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-11-09 US claimed
EP-3116507-B1 COMPOUNDS FOR ORAL TREATMENT OF BRAIN TUMORS KADMON CORP LLC (US) 2021-05-26 EP disclosed
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 US disclosed
WO-2009083042-A1 METHODS AND MEANS FOR THE TREATMENT OF CANCER VAN TELLINGEN OLAF (NL) 2009-07-09 WO disclosed
US-20090170880-A1 Methods and Means for the Treatment of Cancer VAN TELLINGEN OLAF 2009-07-02 US disclosed
US-5260291-A Tetrazine derivatives CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-11-09 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 (1 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-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 MEN1 766/4885PABPC1 916/4885KMT2A 2490/4885

“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.