SCHEMBL21090489

SCHEMBL21090489

COC(=O)c1cn(COCCS(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 1/20 0.37
ADAMTS5 Q9UNA0 2/20 0.34
MAPK1 P28482 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL21265982 0.87 NOTUM (0.42)
SCHEMBL2549674 0.82 MEN1 (0.39) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL12458917 0.81 KMT2A (0.42) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL14225445 0.79 MEN1 (0.44) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL7425205 0.75 SMYD3 (0.50) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL21089926 0.74
SCHEMBL21090068 0.74 GABRA2 (0.33) KMT2ACA12CA1CA2CA9
SCHEMBL26500903 0.73
SCHEMBL4891287 0.73 MEN1 (0.44) MEN1KMT2AGRM2ADAMTS5MAPK1
SCHEMBL30162824 0.72 MEN1 (0.39) MEN1KMT2AGRM2ADAMTS5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
US-20190175571-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-06-13 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-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 MEN1 756/4885KMT2A 251/4885GRM2 3785/4885
US-20190175571-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 MEN1 712/4885KMT2A 139/4885GRM2 3747/4885

“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.