SCHEMBL5089154

SCHEMBL5089154

N#Cc1ccc(NCCNc2nccc(-c3ccc(C(=O)NCc4cccc(Br)c4)cc3)n2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.42
NCOR1 O75376 2/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM1A O60341 1/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
EGLN2 Q96KS0 2/20 0.39
CHRM3 P20309 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL5093322 0.86 PRKAB2 (0.51) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5099872 0.85 POLB (0.50) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5092931 0.85 ALOX5 (0.50) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5093667 0.83 POLB (0.45) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5099383 0.82 ALOX5 (0.49) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5089577 0.81 HDAC1 (0.44) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL5092137 0.79 MAPK8 (0.46) ABL1PDGFRBBCRPDGFRAPRKCA
SCHEMBL5089448 0.77 MAPT (0.55) HDAC3NCOR1POLBLMNACDC7
SCHEMBL5100489 0.76 LMNA (0.56) HDAC1HDAC2HDAC8HDAC6KDM1A
SCHEMBL5099316 0.76 NAMPT (0.44) HDAC1HDAC3NCOR1HDAC2HDAC8

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 ABL1 1730/4885PDGFRB 2282/4885BCR 2212/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ABL1 1700/4885PDGFRB 2191/4885BCR 2194/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ABL1 1700/4885PDGFRB 2191/4885BCR 2194/4885

“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.