SCHEMBL4402745

SCHEMBL4402745

N#Cc1ccc(NCCC(=N)N)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.48
DPP4 P27487 9/20 0.45
DPP8 Q6V1X1 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 2/20 0.39
IDH1 O75874 2/20 0.38
JAK2 O60674 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37

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
Hydrochloric Acid SCHEMBL7587236 0.99 DPP7 (0.47) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL4393866 0.83 DPP7 (0.46) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL402113 0.82 DPP7 (0.51) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL6638863 0.82 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
Hydrochloric Acid SCHEMBL5089089 0.82 DPP7 (0.46) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL21521629 0.81 DPP7 (0.52) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL1119557 0.80 DPP7 (0.50) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL1726095 0.80 DPP7 (0.50) DPP7DPP4DPP8MEN1KMT2A
Hydrochloric Acid SCHEMBL1119507 0.78 DPP7 (0.49) DPP7DPP4DPP8MEN1KMT2A
Hydrochloric Acid SCHEMBL1960447 0.78 DPP7 (0.49) DPP7DPP4DPP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
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
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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

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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP7 3403/4885DPP4 2183/4885DPP8 2631/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP DPP7 1226/4885DPP4 1134/4885DPP8 1378/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB DPP7 3403/4885DPP4 2183/4885DPP8 2631/4885

“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.