SCHEMBL10643552

SCHEMBL10643552

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MAPT P10636 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL10644355 0.89 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
Mitozolomide SCHEMBL97695 0.88 MEN1 (0.64) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3336299 0.84 MEN1 (0.47) MEN1PABPC1KMT2ACA12CA1
Water SCHEMBL10648619 0.83 MEN1 (0.46) MEN1PABPC1KMT2ACA12CA1
SCHEMBL31452072 0.81 MEN1 (0.41) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10648478 0.81 MEN1 (0.44) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3337129 0.81 MEN1 (0.63) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891470 0.80 MEN1 (0.73) MEN1PABPC1KMT2ACA12CA1
SCHEMBL4246136 0.80 CA12 (0.42) MEN1PABPC1KMT2ACA12CA1
SCHEMBL10648222 0.78 MAPT (0.41) MEN1PABPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283280-A1 IMIDAZOTETRAZINONE-BASED COMBI-MOLECULES JEAN-CLAUDE BERTRAND (CA) 2012-11-08 US disclosed
US-20120283280-A1 IMIDAZOTETRAZINONE-BASED COMBI-MOLECULES JEAN-CLAUDE BERTRAND (CA) 2012-11-08 US disclosed
EP-0252682-A2 Tetrazines MAY & BAKER LIMITED (GB) 1988-01-13 EP 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-20120283280-A1 IMIDAZOTETRAZINONE-BASED COMBI-MOLECULES EGFR, ERBB2, ERBB4 MEN1 3490/4885PABPC1 3839/4885KMT2A 1757/4885

“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.