SCHEMBL4859338

SCHEMBL4859338

COc1ccc(OC)c(C2=NNC(=O)/C2=N/Nc2ccc(C)c(-c3ccc(Oc4ccccc4)cc3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.35
BRD4 O60885 3/20 0.34
SYK P43405 1/20 0.34
PRKCQ Q04759 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
TDP2 O95551 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
SCHEMBL4859340 1.00 MEN1 (0.38) MEN1KMT2ALMNAALOX12GAA
SCHEMBL4865719 0.88 FYN (0.35) MEN1KMT2ALMNAALOX12MAPT
SCHEMBL4865714 0.88 FYN (0.35) MEN1KMT2ALMNAALOX12MAPT
SCHEMBL4865018 0.88 SMN1; SMN2 (0.38) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4866935 0.88 GAA (0.36) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4866929 0.88 GAA (0.36) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4857883 0.87 TUBB4A (0.37) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4857700 0.86 GAA (0.41) MEN1KMT2AGAAHDAC8MAPT
SCHEMBL4857716 0.86 GAA (0.41) MEN1KMT2AGAAHDAC8MAPT
SCHEMBL4867111 0.85 CYP11B1 (0.42) MEN1KMT2AALPLBRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-06 US disclosed
US-6916798-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-07-12 US disclosed
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-05 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-20040024040-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MEN1 1190/4885KMT2A 688/4885LMNA 828/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MEN1 1190/4885KMT2A 688/4885LMNA 828/4885

“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.