SCHEMBL5100643

SCHEMBL5100643

CN(C)C=C(C(=O)c1ccc(Cl)cc1Cl)C(=O)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
POLB P06746 1/20 0.46
GLA P06280 1/20 0.45
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
AHR P35869 1/20 0.41
CYP19A1 P11511 2/20 0.38
HTT P42858 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL8035724 0.86 MAPT (0.71) MAPTPOLBGLACYP11B1CYP11B2
SCHEMBL11298296 0.86 MAPT (0.71) MAPTPOLBGLACYP11B1CYP11B2
SCHEMBL7378793 0.76 POLB (0.58) MAPTPOLBGLACYP11B1CYP11B2
SCHEMBL10516101 0.76 GLA (0.59) MAPTPOLBGLACYP11B1CYP11B2
SCHEMBL11271609 0.74 MAPT (0.68) MAPTPOLBALDH1A1MEN1LMNA
SCHEMBL5091820 0.74 MAPT (0.50) MAPTPOLBGLACYP11B1CYP11B2
SCHEMBL11271604 0.74 MAPT (0.68) MAPTPOLBALDH1A1MEN1LMNA
SCHEMBL21829067 0.74 MAPT (0.71) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL9496408 0.73 MAPT (0.57) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL4372951 0.73 POLB (0.54) MAPTPOLBGLACYP11B1CYP11B2

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
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP 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
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 MAPT 134/4885POLB 624/4885GLA 1239/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885POLB 692/4885GLA 1330/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885POLB 692/4885GLA 1330/4885

“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.