SCHEMBL5080890

SCHEMBL5080890

CCc1cc(-c2cccc(N)n2)c(OC)cc1OC1CN(C)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 15/20 0.59
▸ NOS3 P29474 11/20 0.59
▸ NOS2 P35228 7/20 0.50
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ SUV39H2 Q9H5I1 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR6 P50406 1/20 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
SCHEMBL7073206 0.93 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL419682 0.90 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL8275579 0.88 NOS1 (0.44) NOS1NOS3NOS2CYP1A1CYP1B1
SCHEMBL8275628 0.87 NOS1 (0.54) NOS1NOS3NOS2JAK2JAK1
SCHEMBL5080969 0.86 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL422030 0.84 NOS1 (0.58) NOS1NOS3NOS2
SCHEMBL8471365 0.84 NOS1 (0.51) NOS1NOS3NOS2SUV39H2
SCHEMBL421876 0.82 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL422133 0.81 NOS1 (0.66) NOS1NOS3NOS2SLC6A4HTR6
SCHEMBL424370 0.80 NOS1 (0.54) NOS1NOS3NOS2CYP1A1CYP1B1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PFIZER INC. 2005-02-10 — — US claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 — — US claimed
US-6803470-B2 NITRIC OXIDE SYNTHASE INHIBITORS. PFIZER INC 2004-10-12 — — US claimed
EP-1434624-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2004-07-07 — — EP claimed
JP-2003523941-A — — 2003-08-12 — — JP claimed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 — — US claimed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 — — WO claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 — — EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 — — WO claimed
US-20080070952-A1 Inhibition or Treatment of Dyskinesia PROXIMAGEN LTD., (GB) 2008-03-20 — — US disclosed
US-20080070952-A1 Inhibition or Treatment of Dyskinesia PROXIMAGEN LTD., (GB) 2008-03-20 — — US disclosed
US-20080070952-A1 Inhibition or Treatment of Dyskinesia PROXIMAGEN LTD., (GB) 2008-03-20 — — US disclosed
EP-1850838-A2 INHIBITION OR TREATMENT OF DYSKINESIA Proximagen Ltd. (GB) 2007-11-07 — — EP disclosed
EP-1434624-B1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2006-11-02 — — EP disclosed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 — — US disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 — — WO disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 — — WO disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 — — WO disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 — — EP disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 — — 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 (4 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-20080070952-A1 Inhibition or Treatment of Dyskinesia DBH, COMT, DDO NOS1 15/4885NOS3 18/4885NOS2 29/4885
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2251/4885NOS3 1089/4885NOS2 1257/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885NOS2 6/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885NOS2 1214/4885

“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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