SCHEMBL5091987

SCHEMBL5091987

Nc1nc2ccccc2n1CCCNc1nccc(-c2ccc(O)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.50
TLR8 Q9NR97 3/20 0.46
PLK1 P53350 3/20 0.44
KDR P35968 2/20 0.44
PTK2 Q05397 2/20 0.44
AURKB Q96GD4 2/20 0.44
POLB P06746 1/20 0.43
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 2/20 0.40
ADORA2A P29274 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL5100134 0.81 MKNK1 (0.46) PLK1KDRPTK2AURKBMKNK1
SCHEMBL7104529 0.78 EIF2AK2 (0.40) PLK1KDRPTK2AURKBMKNK1
SCHEMBL5101136 0.72 DRD4 (0.51) MKNK1KMT2APIM1PIM2
SCHEMBL5093875 0.71 MAPK8 (0.48) MKNK1MKNK2
SCHEMBL5100147 0.71 POLB (0.48) POLBHTT
SCHEMBL5091970 0.70 PIM1 (0.39) PLK1MKNK1MKNK2KMT2APIM1
SCHEMBL7164854 0.70 CXCR4 (0.93) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL6196399 0.70 CXCR4 (1.00) CXCR4TLR8POLBHTTCYP1A2
SCHEMBL5092000 0.70 PLK1 (0.39) PLK1POLBMKNK1MKNK2PIM1
SCHEMBL6197634 0.69 CXCR4 (0.96) CXCR4TLR8POLBHTTCYP1A2

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 12 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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO 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 CXCR4 1555/4885TLR8 4066/4885PLK1 8/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CXCR4 1400/4885TLR8 3948/4885PLK1 8/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CXCR4 1400/4885TLR8 3948/4885PLK1 8/4885

“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.