SCHEMBL4502041

SCHEMBL4502041

Cc1cc(F)ccc1-c1ccc(N)nc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK3 Q9NZJ5 1/20 0.55
▸ TDO2 P48775 2/20 0.54
▸ ABL1 P00519 3/20 0.52
▸ FEN1 P39748 10/20 0.50
▸ ALOX5AP P20292 8/20 0.47
▸ NOS3 P29474 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41

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
SCHEMBL4504756 0.86 ABL1 (0.68) EIF2AK3TDO2ABL1FEN1ALOX5AP
SCHEMBL23044427 0.84 MAP4K4 (0.51) EIF2AK3TDO2ABL1FEN1ALOX5AP
SCHEMBL29690149 0.84 MAP4K4 (0.51) EIF2AK3TDO2ABL1FEN1ALOX5AP
SCHEMBL4513696 0.82 FEN1 (0.65) TDO2FEN1ALOX5AP
SCHEMBL4497183 0.81 ABL1 (0.50) EIF2AK3TDO2ABL1FEN1ALOX5AP
SCHEMBL17805365 0.80 NOS3 (0.47) EIF2AK3TDO2ABL1FEN1NOS3
SCHEMBL3813235 0.80 NOS3 (0.52) EIF2AK3TDO2ABL1FEN1NOS3
SCHEMBL4503767 0.79 TDO2 (0.54) TDO2ABL1FEN1ALOX5APMAP4K4
SCHEMBL4489662 0.79 FEN1 (0.51) EIF2AK3TDO2ABL1FEN1ALOX5AP
SCHEMBL15243549 0.78 PDE3B (0.44) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 — — US disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 — — US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 — — US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 — — EP disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 — — EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 — — US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 — — WO 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-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 EIF2AK3 4273/4885TDO2 2985/4885ABL1 821/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 EIF2AK3 4273/4885TDO2 2985/4885ABL1 821/4885

“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.

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