SCHEMBL2087254

SCHEMBL2087254

CSc1cc(N)nc(C(N)=NO)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2087460 0.79 LMNA (0.42)
SCHEMBL2090059 0.74 NOS3 (0.39) NOS3NOS1MAPT
SCHEMBL2087250 0.72
SCHEMBL2089670 0.71 PLK1 (0.43) SMN1; SMN2
SCHEMBL2088839 0.71 ALDH1A1 (0.42) MAPT
SCHEMBL2087138 0.70 NOS3 (0.32) NOS3NOS1
SCHEMBL2089986 0.67 NOS2 (0.54) NOS3NOS1
SCHEMBL2087998 0.66 HTR6 (0.33) NOS3NOS1
SCHEMBL13741276 0.66 CDK2 (0.37) NOS3NOS1MAPTSMN1; SMN2
SCHEMBL16209848 0.66 CDK2 (0.41)

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 NOS3 3443/4885NOS1 2348/4885MAPT 2224/4885

“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.