SCHEMBL5100134

SCHEMBL5100134

Oc1ccc(-c2ccnc(NCCCn3cnc4ccccc43)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.46
MKNK2 Q9HBH9 5/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDR P35968 1/20 0.43
PLK1 P53350 1/20 0.43
PTK2 Q05397 1/20 0.43
AURKB Q96GD4 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
BACE1 P56817 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
MAPT P10636 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
SCHEMBL5093875 0.87 MAPK8 (0.48) MKNK1MKNK2EGLN3
SCHEMBL5089493 0.86 KDR (0.46) MKNK1MKNK2TDP1KDRPLK1
SCHEMBL5095187 0.85 MKNK1 (0.41) MKNK1MKNK2TDP1ALDH1A1SMN1; SMN2
SCHEMBL5099835 0.84 JAK2 (0.47) MKNK1MKNK2TDP1KDRPLK1
SCHEMBL5091987 0.81 CXCR4 (0.50) MKNK1MKNK2KDRPLK1PTK2
SCHEMBL5095181 0.78 MKNK1 (0.42) MKNK1MKNK2TDP1SMN1; SMN2LMNA
SCHEMBL7104529 0.76 EIF2AK2 (0.40) MKNK1MKNK2KDRPLK1PTK2
SCHEMBL5101136 0.74 DRD4 (0.51) MKNK1DYRK1BKDM4EMAPTKMT2A
SCHEMBL5093401 0.73 MAP4K4 (0.43) DYRK1B
SCHEMBL5093948 0.73 CAMKK2 (0.46) ALDH1A1LMNAHTTRAB9AMAPT

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 8 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
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 MKNK1 150/4885MKNK2 358/4885TDP1 203/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885TDP1 197/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885TDP1 197/4885

“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.