SCHEMBL4865224

SCHEMBL4865224

COc1cc(N/N=C2/C(=O)NN=C2c2cc(OC)c(OC)c(OC)c2)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
BRAF P15056 1/20 0.38
PDGFRB P09619 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDR P35968 2/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL4865228 1.00 HTT (0.40) HTTMEN1KMT2ALMNAPKM
SCHEMBL4865003 0.92 HTT (0.38) HTTMEN1KMT2ALMNAPKM
SCHEMBL4864997 0.92 HTT (0.38) HTTMEN1KMT2ALMNAPKM
SCHEMBL4863754 0.90 CHEK1 (0.43) MEN1KMT2AJAK2FLT3KDM4E
SCHEMBL4863750 0.90 CHEK1 (0.43) MEN1KMT2AJAK2FLT3KDM4E
SCHEMBL4856037 0.89 HTT (0.35) HTTMEN1KMT2ALMNAPKM
SCHEMBL4856045 0.89 HTT (0.35) HTTMEN1KMT2ALMNAPKM
SCHEMBL4857492 0.86 CYP1A1 (0.41) HTTMEN1KMT2APKMMAPT
SCHEMBL4857529 0.86 CYP1A1 (0.41) HTTMEN1KMT2APKMMAPT
SCHEMBL4857700 0.84 GAA (0.41) MEN1KMT2AMAPK1MAPTPOLB

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 5 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
WO-2003011287-A1 PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (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 HTT 2774/4885MEN1 1190/4885KMT2A 688/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A HTT 2774/4885MEN1 1190/4885KMT2A 688/4885

“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.