SCHEMBL5354599

SCHEMBL5354599

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
PABPC1 P11940 1/20 0.60
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
MLYCD O95822 1/20 0.35
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL18737910 0.86 MEN1 (0.64) KMT2AMEN1PABPC1CA12CA1
SCHEMBL24230437 0.84 CA12 (0.64) KMT2AMEN1PABPC1CA12CA1
SCHEMBL16569258 0.84 MEN1 (0.61) KMT2AMEN1PABPC1CA12CA1
SCHEMBL21711170 0.84 MEN1 (0.61) KMT2AMEN1PABPC1CA12CA1
SCHEMBL5355079 0.83 MEN1 (0.64) KMT2AMEN1PABPC1CA12CA1
SCHEMBL15788844 0.83 KMT2A (0.72) KMT2AMEN1PABPC1CA12CA1
SCHEMBL24230197 0.82 MEN1 (0.60) KMT2AMEN1PABPC1CA12CA1
SCHEMBL23588594 0.82 MEN1 (0.60) KMT2AMEN1PABPC1CA12CA1
SCHEMBL19979296 0.82 CA12 (0.62) KMT2AMEN1PABPC1CA12CA1
SCHEMBL5359267 0.81 CA12 (0.61) KMT2AMEN1PABPC1CA12CA1

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 KMT2A 1472/4885MEN1 222/4885PABPC1 4434/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B KMT2A 524/4885MEN1 882/4885PABPC1 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.