SCHEMBL4157074

SCHEMBL4157074

O=C(NC1C2CC3CC(C2)CC1C3)c1ccnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
PARP1 P09874 2/20 0.43
HSD11B1 P28845 9/20 0.42
HDAC3 O15379 1/20 0.40
JAK2 O60674 1/20 0.40
NCOR1 O75376 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
INSR P06213 2/20 0.39
ALK Q9UM73 2/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 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
SCHEMBL4145972 0.90 PARP1 (0.40) PARP1HSD11B1JAK2INSRALK
SCHEMBL4161139 0.89 ALDH1A1 (0.39) CNR2HSD11B1CNR1
SCHEMBL4157079 0.84 EPHX2 (0.49) CNR2PARP1HDAC3JAK2NCOR1
SCHEMBL4158130 0.84 BMPR1B (0.57) CNR2PARP1JAK2JAK1TYK2
SCHEMBL4152703 0.84 BMPR1B (0.57) CNR2PARP1JAK2JAK1TYK2
SCHEMBL4156921 0.83 GSK3B (0.42) PARP1HSD11B1
SCHEMBL8238611 0.83 HTR3A (0.54) PARP1
SCHEMBL4152711 0.80 MAPK10 (0.54) PARP1JAK2JAK1TYK2JAK3
SCHEMBL4145550 0.80 PARP1 (0.40) PARP1HDAC3JAK2NCOR1JAK1
SCHEMBL13778177 0.79 CNR2 (0.44) CNR2PARP1HDAC3JAK2NCOR1

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 6 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
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
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 CNR2 4327/4885PARP1 1827/4885HSD11B1 2533/4885

“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.