Sugi Predict

Sugi Predict / Compounds / SCHEMBL5077795

SCHEMBL5077795

SCHEMBL5077795

CCc1cc(-c2cccc(N)n2)c(OC)cc1CNC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.71
▸ NOS3 P29474 5/20 0.71
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL8275765 0.89 NOS1 (0.69) NOS1NOS3CYP1A1CYP1B1ALDH1A1
SCHEMBL8275994 0.89 NOS1 (0.69) NOS1NOS3CYP1A1CYP1B1ALDH1A1
SCHEMBL8275750 0.87 NOS1 (0.67) NOS1NOS3CYP1A1CYP1B1ALDH1A1
SCHEMBL8275594 0.86 NOS1 (0.53) NOS1NOS3CYP1A1CYP1B1ALDH1A1
SCHEMBL8275718 0.85 NOS1 (0.64) NOS1NOS3CYP1A1CYP1B1ALDH1A1
SCHEMBL8275763 0.85 NOS1 (0.64) NOS1NOS3ALDH1A1
SCHEMBL8275778 0.85 NOS1 (0.64) NOS1NOS3ALDH1A1PDCD1CD274
SCHEMBL8275781 0.85 NOS1 (0.64) NOS1NOS3CYP1A1CYP1B1
SCHEMBL8275810 0.84 NOS1 (0.63) NOS1NOS3CYP1A1CYP1B1ALDH1A1
Dimethylamine SCHEMBL5077341 0.84 NOS1 (0.65) NOS1NOS3CYP1A1CYP1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PFIZER INC. 2005-02-10 — — 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
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
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-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
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-20060058267-A1 Pharmaceutical compositions comprising a NOS inhibitor PFIZER INC 2006-03-16 — — US disclosed
EP-1596861-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A NOS INHIBITOR AND AN NMDA RECEPTOR ANTAGONIST Pfizer Products Inc. (US) 2005-11-23 — — EP disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 — — US disclosed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20060058267-A1 Pharmaceutical compositions comprising a NOS inhibitor NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885CYP1A1 365/4885
US-20080070952-A1 Inhibition or Treatment of Dyskinesia DBH, COMT, DDO NOS1 15/4885NOS3 18/4885CYP1A1 1849/4885
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2251/4885NOS3 1089/4885CYP1A1 562/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885CYP1A1 77/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885CYP1A1 447/4885

“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.