SCHEMBL13341900

SCHEMBL13341900

COC(=O)Cc1c(-c2ccccc2)nc2ccccn12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NTRK1 P04629 3/20 0.56
SLC2A2 P11168 1/20 0.53
STAT3 P40763 1/20 0.53

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
SCHEMBL3613601 0.87 SLC2A2 (0.69) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL22780401 0.85 NTRK1 (0.57) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL13341887 0.85 SMN1; SMN2 (0.56) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL6686729 0.84 NTRK1 (0.58) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL7096969 0.82 NTRK1 (0.56) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL13341895 0.82 NPC1 (0.56) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL13341897 0.81 GABRB2 (0.62) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL22780031 0.81 GAA (0.71) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL2937274 0.79 DPP4 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL1430614 0.78 SLC2A2 (0.77) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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-8980887-B2 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY (CN) 2015-03-17 US disclosed
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-08-08 US disclosed
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 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 (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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 ALDH1A1 300/4885KDM4E 995/4885PKM 906/4885
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof TSPO, SLC6A1, TBXA2R ALDH1A1 680/4885KDM4E 3821/4885PKM 759/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B ALDH1A1 321/4885KDM4E 796/4885PKM 1291/4885

“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.