SCHEMBL4865279

SCHEMBL4865279

COc1ccc(C2=NNC(=O)C2=NNc2ccc(C)c(-c3ccc(CO)cc3)c2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
MAPK14 Q16539 3/20 0.34
MAPT P10636 3/20 0.34
CNR1 P21554 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAAA Q02083 1/20 0.33
KIT P10721 1/20 0.33
PLAU P00749 1/20 0.32
SYK P43405 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
SCHEMBL4865270 1.00 MEN1 (0.36) MEN1KMT2AGAAMAPK14MAPT
SCHEMBL4866935 0.93 GAA (0.36) MEN1KMT2AGAAMAPK14MAPT
SCHEMBL4866929 0.93 GAA (0.36) MEN1KMT2AGAAMAPK14MAPT
SCHEMBL4866577 0.87 TUBB4A (0.39) MEN1KMT2AGAAGRIN1GRIN2B
SCHEMBL4866586 0.87 TUBB4A (0.39) MEN1KMT2AGAAGRIN1GRIN2B
SCHEMBL4863412 0.84 ALDH1A1 (0.40) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL4863418 0.84 ALDH1A1 (0.40) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL4867830 0.84 CYP1A1 (0.38) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4867821 0.84 CYP1A1 (0.38) MEN1KMT2AGAAMAPTHPGD
SCHEMBL4865018 0.83 SMN1; SMN2 (0.38) MEN1KMT2AGAAMAPTSMN1; SMN2

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 688/4885GAA 1224/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A MEN1 1190/4885KMT2A 688/4885GAA 1224/4885

“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.