SCHEMBL2089986

SCHEMBL2089986

CSc1cc(C)nc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.54
NOS3 P29474 4/20 0.54
NOS1 P29475 2/20 0.54
POLB P06746 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DYRK1A Q13627 1/20 0.35
PIK3CG P48736 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2090059 0.85 NOS3 (0.39) NOS2NOS3NOS1DYRK1A
SCHEMBL21711153 0.83 POLB (0.43) NOS2NOS3NOS1POLBAPOBEC3G
SCHEMBL2087998 0.76 HTR6 (0.33) NOS2NOS3NOS1
SCHEMBL2087138 0.76 NOS3 (0.32) NOS2NOS3NOS1
SCHEMBL13741276 0.76 CDK2 (0.37) NOS2NOS3NOS1POLBDYRK1A
SCHEMBL10412143 0.73 LMNA (0.38) POLBAPOBEC3GMEN1KMT2A
SCHEMBL30718977 0.73 KMT2A (0.49) NOS2NOS3NOS1POLBAPOBEC3G
SCHEMBL8018804 0.73 KMT2A (0.49) NOS2NOS3NOS1POLBAPOBEC3G
SCHEMBL2088900 0.72 NOS2 (0.38) NOS2NOS3NOS1
SCHEMBL31298783 0.72 NOS2 (0.57) NOS2NOS3NOS1MEN1KMT2A

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 NOS2 3653/4885NOS3 3443/4885NOS1 2348/4885

“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.