SCHEMBL4476587

SCHEMBL4476587

N#Cc1cccc(C2=NC(c3ccccc3)(c3ccccc3Cl)CN2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
BACE1 P56817 3/20 0.42
NPY5R Q15761 1/20 0.39
CLK4 Q9HAZ1 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ADORA2B P29275 2/20 0.35
PGR P06401 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
IDO1 P14902 2/20 0.34

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
SCHEMBL4473104 0.87 MAOB (0.47) MAOBBACE1NPY5RCLK4BACE2
SCHEMBL4468926 0.86 MAOB (0.49) MAOBBACE1NPY5RCLK4ADORA2A
SCHEMBL4476470 0.86 MAOB (0.49) MAOBBACE1NPY5RCLK4ADORA2A
Hydrochloric Acid SCHEMBL4467499 0.85 MAOB (0.48) MAOBBACE1NPY5RCLK4ADORA2A
SCHEMBL4460021 0.85 MAOB (0.52) MAOBBACE1NPY5RCLK4ADORA2A
SCHEMBL4479530 0.84 MAOB (0.44) MAOBBACE1NPY5RCLK4KCNH2
SCHEMBL4472466 0.82 MAOB (0.52) MAOBBACE1NPY5RCLK4KCNH2
SCHEMBL4467945 0.82 MAOB (0.49) MAOBBACE1NPY5RCLK4ADORA2A
SCHEMBL4479177 0.82 NPY5R (0.57) MAOBBACE1NPY5RCLK4KCNA5
SCHEMBL4474803 0.82 MAOB (0.49) MAOBBACE1NPY5RCLK4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US claimed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP claimed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US claimed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP claimed
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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 (2 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R MAOB 1890/4885BACE1 864/4885NPY5R 9/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 MAOB 1639/4885BACE1 510/4885NPY5R 4/4885

“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.