SCHEMBL5099004

SCHEMBL5099004

CCOC(=O)c1cnc(NCCNc2ccc(C(=O)N3CCOCC3)cn2)nc1-c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
EIF4E P06730 1/20 0.41
BDKRB1 P46663 1/20 0.41
CDK6 Q00534 3/20 0.40
CCND1 P24385 2/20 0.40
FASN P49327 2/20 0.40
RAB9A P51151 1/20 0.40
SRC P12931 1/20 0.40
DYRK2 Q92630 1/20 0.40

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
SCHEMBL5093431 0.86 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1RAB9AKCNH2
SCHEMBL5091488 0.86 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1RAB9AKCNH2
SCHEMBL5098981 0.85 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1RAB9AKCNH2
SCHEMBL5092422 0.85 GSK3B (0.45) KDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL5091761 0.84 EGLN1 (0.43) EGLN1KDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL5095112 0.83 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1RAB9AKCNH2
SCHEMBL5091305 0.82 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1JAK2JAK3
SCHEMBL5093718 0.80 POLB (0.43) KDM4EALDH1A1L3MBTL1RAB9AKCNH2
SCHEMBL5093866 0.79 DPP4 (0.45) KDM4EALDH1A1MKNK1MKNK2EIF4E
SCHEMBL7856476 0.79 MAPK8 (0.33) EGLN1KDM4EMEN1KMT2AALDH1A1

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 9 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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US 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 EGLN1 4023/4885KDM4E 2320/4885MEN1 3334/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB EGLN1 3982/4885KDM4E 2567/4885MEN1 3376/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB EGLN1 3982/4885KDM4E 2567/4885MEN1 3376/4885

“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.