Sugi Predict

Sugi Predict / Compounds / SCHEMBL4855952

SCHEMBL4855952

SCHEMBL4855952

COc1ccc(N/N=C2/C(=O)NN=C2c2ccc(OC)c(OC)c2OC)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK10 O94804 2/20 0.35
▸ SLK Q9H2G2 2/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 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
SCHEMBL4855963 1.00 STK10 (0.35) STK10SLKCHEK1HDAC4HDAC2
SCHEMBL4856037 0.94 HTT (0.35) STK10SLKCHEK1HDAC4HDAC2
SCHEMBL4856045 0.94 HTT (0.35) STK10SLKCHEK1HDAC4HDAC2
SCHEMBL4864997 0.89 HTT (0.38) STK10SLKKDM4EALDH1A1HTT
SCHEMBL4865003 0.89 HTT (0.38) STK10SLKKDM4EALDH1A1HTT
SCHEMBL4866485 0.86 CHEK1 (0.42) STK10SLKCHEK1KDM4EALDH1A1
SCHEMBL4866493 0.86 CHEK1 (0.42) STK10SLKCHEK1KDM4EALDH1A1
SCHEMBL4857716 0.83 GAA (0.41) HDAC4HDAC2HDAC8KDM4EMEN1
SCHEMBL4857700 0.83 GAA (0.41) HDAC4HDAC2HDAC8KDM4EMEN1
SCHEMBL4865228 0.83 HTT (0.40) CHEK1KDM4EALDH1A1HTTMEN1

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 STK10 379/4885SLK 764/4885CHEK1 73/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A STK10 379/4885SLK 764/4885CHEK1 73/4885

“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.