SCHEMBL4152149

SCHEMBL4152149

O=C(NC1CCCCC1)c1ccnc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.54
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
MAPT P10636 1/20 0.45
GRIN2B Q13224 1/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL4152141 0.89 NPC1 (0.48) PBKNPC1RAB9ACNR2CNR1
SCHEMBL4152581 0.89 NPC1 (0.48) PBKNPC1RAB9ACNR2CNR1
SCHEMBL4160333 0.88 PBK (0.47) PBKALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4160795 0.85 GSK3B (0.44) PBKALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4153562 0.84 PBK (0.47) PBKALDH1A1GAAKDM4E
SCHEMBL4164571 0.84 PBK (0.47) PBKALDH1A1GAAKDM4E
SCHEMBL4158130 0.83 BMPR1B (0.57) PBKALDH1A1LMNAKMT2AMEN1
SCHEMBL4152703 0.83 BMPR1B (0.57) PBKALDH1A1LMNAKMT2AMEN1
SCHEMBL4160457 0.82 BMPR1B (0.47) PBKKMT2AMEN1
SCHEMBL4165106 0.82 BMPR1B (0.47) PBKALDH1A1SMN1; SMN2KMT2AMEN1

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 7 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
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 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 PBK 999/4885ALDH1A1 4274/4885SMN1; SMN2 3695/4885

“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.