SCHEMBL5089555

SCHEMBL5089555

COc1ccc(OC)c(CCNc2nccc(-c3ccc(C(N)=O)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 5/20 0.55
PIK3CG P48736 4/20 0.55
MAPK8 P45983 4/20 0.55
PTGDR Q13258 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.47
IKBKB O14920 1/20 0.46
DYRK1A Q13627 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CLK1 P49759 2/20 0.45
CLK2 P49760 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC2 Q92769 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK10 P53779 1/20 0.43
P2RX3 P56373 1/20 0.43

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
SCHEMBL5092014 0.87 CAMKK2 (0.66) CAMKK2PIK3CGMAPK8HDAC1IKBKB
SCHEMBL7026269 0.85 DYRK1A (0.49) CAMKK2PIK3CGMAPTDYRK1ACLK4
SCHEMBL5091547 0.83 CAMKK2 (0.53) CAMKK2PIK3CGMAPK8PTGDRHDAC1
SCHEMBL5094049 0.83 CAMKK2 (0.54) CAMKK2PIK3CGMAPK8PTGDRALDH1A1
SCHEMBL5100369 0.83 CAMKK2 (0.60) CAMKK2PIK3CGMAPK8PTGDRHDAC1
SCHEMBL5091583 0.82 MEN1 (0.58) PIK3CGALDH1A1LMNAMAPTIKBKB
SCHEMBL5094537 0.81 PRKCA (0.55) PTGDRALDH1A1LMNAMAPTCLK4
SCHEMBL5092063 0.81 PIK3CG (0.41) CAMKK2PIK3CGMAPK8ALDH1A1LMNA
SCHEMBL5092372 0.80 CAMKK2 (0.54) CAMKK2PIK3CGMAPK8IKBKBDYRK1A
SCHEMBL5089234 0.80 DYRK1A (0.64) CAMKK2PIK3CGMAPK8ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 692/4885PIK3CG 157/4885MAPK8 878/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885PIK3CG 143/4885MAPK8 849/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CAMKK2 707/4885PIK3CG 143/4885MAPK8 849/4885

“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.