SCHEMBL5355079

SCHEMBL5355079

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PABPC1 P11940 1/20 0.64
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
PDE4A P27815 2/20 0.33
KCNH2 Q12809 2/20 0.33
TP53 P04637 1/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
GABRA5 P31644 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL24230197 0.88 MEN1 (0.60) MEN1KMT2APABPC1CA12CA1
SCHEMBL891881 0.85 MEN1 (0.69) MEN1KMT2APABPC1CA12CA1
SCHEMBL7876576 0.85 MEN1 (0.69) MEN1KMT2APABPC1CA12CA1
SCHEMBL15788844 0.83 KMT2A (0.72) MEN1KMT2APABPC1CA12CA1
SCHEMBL5354599 0.83 KMT2A (0.60) MEN1KMT2APABPC1CA12CA1
SCHEMBL26911797 0.82 MEN1 (0.66) MEN1KMT2APABPC1CA12CA1
SCHEMBL26367025 0.82 MEN1 (0.55) MEN1KMT2APABPC1CA12CA1
SCHEMBL3859207 0.82 MEN1 (0.69) MEN1KMT2APABPC1CA12CA1
SCHEMBL18737910 0.81 MEN1 (0.64) MEN1KMT2APABPC1CA12CA1
SCHEMBL5346750 0.81 MEN1 (0.64) MEN1KMT2APABPC1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2022026756-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2022-02-03 WO 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
US-20060047117-A1 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) 2006-03-02 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 (2 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-20060047117-A1 Synthesis of temozolomide esters as potent anticancer pro-drugs for topical and transdermal applications in treatments of cancers TET1, SLC16A1, ADH1A MEN1 222/4885KMT2A 1472/4885PABPC1 4434/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B MEN1 882/4885KMT2A 524/4885PABPC1 2801/4885

“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.