SCHEMBL4153098

SCHEMBL4153098

CN1CCN(c2ccc(-c3nc4c(C(=O)NC5CN6C#CC5CC6)ccnc4[nH]3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
JAK2 O60674 2/20 0.37
ALK Q9UM73 4/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35
FGFR4 P22455 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2D Q13557 1/20 0.35

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
SCHEMBL4152814 0.92 AURKB (0.37) PARP1JAK2PIM1PIM3PIM2
SCHEMBL4145550 0.91 PARP1 (0.40) PARP1JAK2TBK1PRKD3PRKD2
SCHEMBL4154174 0.86 GSK3B (0.38) PARP1GSK3AGSK3B
SCHEMBL13778187 0.85 HTR3A (0.43)
SCHEMBL4161580 0.83 BMPR1B (0.47) PARP1TNKSTNKS2JAK2PIM1
SCHEMBL4160457 0.83 BMPR1B (0.47) PARP1TNKSTNKS2JAK2PIM1
SCHEMBL13778201 0.82 HRH4 (0.44) PARP1TNKSTNKS2JAK2ALK
SCHEMBL4145972 0.80 PARP1 (0.40) PARP1TNKSTNKS2JAK2ALK
SCHEMBL4161584 0.77 RAB9A (0.51) JAK2ALK
SCHEMBL13778176 0.76 CNR2 (0.39) PARP1TNKSTNKS2JAK2ALK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 PARP1 1827/4885TNKS 716/4885TNKS2 1026/4885

“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.