SCHEMBL2087271

SCHEMBL2087271

Cc1cc(N)nc(C2CCc3ccccc3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
PLAU P00749 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
NOS1 P29475 4/20 0.38
NOS2 P35228 4/20 0.38
TRPV3 Q8NET8 1/20 0.38
NOS3 P29474 2/20 0.38
ANPEP P15144 1/20 0.36

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
SCHEMBL2875248 0.85 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6664970 0.77 PLAU (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3199075 0.74 PLAU (0.40) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24266487 0.73 TRPV3 (0.43) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3467895 0.71 PIK3CD (0.43) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14433451 0.71 RAB9A (0.43) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL604933 0.70 HRH4 (0.65)
SCHEMBL2875249 0.70 TRPV3 (0.34) TRPV3
SCHEMBL8192694 0.69 HRH4 (0.56) NOS1NOS2NOS3
SCHEMBL6534275 0.68 POLB (0.43) PLAUTRPV3

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-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 GRIN2D 4601/4885GRIN3B 4308/4885GRIN1 2749/4885

“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.