SCHEMBL5093408

SCHEMBL5093408

CCOC(=O)c1cnc(NCCc2ccccn2)nc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.47
ADORA2A P29274 17/20 0.47
ADORA1 P30542 17/20 0.47
ADORA2B P29275 8/20 0.46
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL7146465 0.88 PDE4A (0.41) ADORA3ADORA2AADORA1ADORA2BRAB9A
SCHEMBL27559848 0.86 PKM (0.44) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL7679913 0.82 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2BNPSR1
SCHEMBL5089195 0.82 ALDH1A1 (0.48) ADORA1RAB9ANPSR1KDM4EALDH1A1
SCHEMBL5093430 0.81 RAB9A (0.49) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL5089111 0.80 ALDH1A1 (0.46) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL5091586 0.77 FOS (0.46) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL31141656 0.77 MAPT (0.53) RAB9AKDM4EALDH1A1MAPT
SCHEMBL7145600 0.74 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL7853285 0.73 FOS (0.44) RAB9ANPSR1KDM4EALDH1A1MAPT

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-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
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 ADORA3 1494/4885ADORA2A 1960/4885ADORA1 2273/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ADORA3 1367/4885ADORA2A 1827/4885ADORA1 2091/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ADORA3 1367/4885ADORA2A 1827/4885ADORA1 2091/4885

“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.