SCHEMBL4157079

SCHEMBL4157079

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 11/20 0.44
PARP1 P09874 2/20 0.42
CNR1 P21554 2/20 0.42
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.39
JAK2 O60674 1/20 0.39
NCOR1 O75376 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PBK Q96KB5 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
SCHEMBL4145977 0.90 CNR2 (0.41) EPHX2CNR2PARP1CNR1LMNA
SCHEMBL4161142 0.89 CNR2 (0.41) EPHX2ALDH1A1CNR2CNR1LMNA
SCHEMBL4157074 0.84 CNR2 (0.48) CNR2PARP1CNR1HDAC3JAK2
SCHEMBL4152905 0.84 CNR2 (0.47) ALDH1A1NPSR1CNR2CNR1PBK
SCHEMBL4154067 0.81 PARP1 (0.39) PARP1JAK2JAK3
SCHEMBL4152703 0.80 BMPR1B (0.57) ALDH1A1CNR2PARP1CNR1LMNA
SCHEMBL4158130 0.80 BMPR1B (0.57) ALDH1A1CNR2PARP1CNR1LMNA
SCHEMBL4152711 0.79 MAPK10 (0.54) ALDH1A1NPSR1PARP1JAK2JAK1
SCHEMBL4157085 0.78 PDE4B (0.48) PARP1JAK2JAK1TYK2JAK3
SCHEMBL4152912 0.77 TP53 (0.53) PARP1

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 4 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
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 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 (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 EPHX2 2812/4885ALDH1A1 4274/4885NPSR1 4511/4885

“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.