SCHEMBL5359897

SCHEMBL5359897

CC(C)CNC(=N)c1nonc1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MCL1 Q07820 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 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
SCHEMBL20149587 0.80 KMT2A (0.50) KMT2AMCL1GAASMN1; SMN2ALDH1A1
SCHEMBL14317086 0.74 KMT2A (0.42) KMT2AMCL1GAASMN1; SMN2IDO1
SCHEMBL17624206 0.74 KMT2A (0.36) KMT2AMCL1GAASMN1; SMN2IDO1
SCHEMBL179214 0.74 GAA (0.44) KMT2AMCL1GAASMN1; SMN2ALDH1A1
SCHEMBL150407 0.72 IDO1 (0.45) KMT2AIDO1HTTGFERMAPT
SCHEMBL15926059 0.71 KMT2A (0.39) KMT2AMCL1GAASMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL19133467 0.71 IDO1 (0.44) KMT2AIDO1HTTGFERMAPT
SCHEMBL12053647 0.68 KMT2A (0.51) KMT2AGAASMN1; SMN2IDO1ALDH1A1
SCHEMBL12054272 0.68 ALDH1A1 (0.55) IDO1ALDH1A1KDM4ENPSR1MAPT
SCHEMBL12053004 0.68 KMT2A (0.52) KMT2AGAASMN1; SMN2IDO1ALDH1A1

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
EP-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 KMT2A 1498/4885MCL1 978/4885GAA 554/4885

“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.