SCHEMBL5089205

SCHEMBL5089205

CN(CCNC(=O)C(F)(F)F)c1ncc(-c2cnc[nH]2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 9/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CFTR P13569 1/20 0.35
DPP4 P27487 2/20 0.35
SLC9A5 Q14940 1/20 0.34
IDO1 P14902 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
GSK3B P49841 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
CNR2 P34972 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5091746 0.87 GSK3B (0.45) KDM4EHPGDNPSR1CNR1CYP3A4
SCHEMBL5101208 0.78 GSK3B (0.58) KDM4EHPGDNPSR1MAPTGSK3B
SCHEMBL4400512 0.77 GSK3B (0.53) KDM4EHPGDNPSR1CNR1CYP3A4
SCHEMBL5094253 0.76 GSK3B (0.59) KDM4EHPGDNPSR1CNR1CYP3A4
SCHEMBL5089211 0.70 GSK3B (0.48) CNR1CFTRGSK3BCNR2
SCHEMBL7844445 0.69 IDO1 (0.41) KDM4EHPGDNPSR1CNR1CYP3A4
SCHEMBL4398923 0.69 GSK3B (0.55) KDM4EHPGDNPSR1MAPTGSK3B
SCHEMBL5089196 0.69 GABRA2 (0.35) CNR1CNR2
SCHEMBL4972842 0.69 IDO1 (0.55) MAPTIDO1GSK3B
Hydrochloric Acid SCHEMBL5092270 0.69 GSK3B (0.54) KDM4EHPGDNPSR1MAPTGSK3B

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 10 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
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
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 KDM4E 2320/4885HPGD 1619/4885NPSR1 4122/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885HPGD 1602/4885NPSR1 4039/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KDM4E 2567/4885HPGD 1602/4885NPSR1 4039/4885

“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.