SCHEMBL5100147

SCHEMBL5100147

Oc1ccc(-c2ccnc(NCCCc3nc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HTT P42858 2/20 0.43
EGFR P00533 1/20 0.43
EIF2AK2 P19525 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5093881 0.87 POLB (0.49) POLBHTTSMN1; SMN2LMNAMAPT
SCHEMBL5095173 0.87 POLB (0.45) POLBHTTEIF2AK2
SCHEMBL5089491 0.86 BRAF (0.44) POLBHTTEIF2AK2LMNA
SCHEMBL5099830 0.84 CHEK1 (0.47) POLBEIF2AK2SMN1; SMN2LMNAMAPT
SCHEMBL5091272 0.81 JAK2 (0.41) HTTEIF2AK2MAPT
SCHEMBL5092000 0.76 PLK1 (0.39) POLBEIF2AK2MAPT
SCHEMBL7104529 0.76 EIF2AK2 (0.40) EIF2AK2
SCHEMBL5091979 0.76 PLK1 (0.39) EIF2AK2
SCHEMBL7854769 0.74 JAK2 (0.36) HTTMAPT
SCHEMBL5101136 0.74 DRD4 (0.51) EIF2AK2MAPT

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 POLB 624/4885HTT 3721/4885EGFR 1538/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB POLB 692/4885HTT 3732/4885EGFR 1633/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB POLB 692/4885HTT 3732/4885EGFR 1633/4885

“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.