SCHEMBL5799995

SCHEMBL5799995

CCc1cc(-c2cccc(NCC(C)(C)C)n2)c(OC)cc1CNC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.47
NOS3 P29474 4/20 0.47
CCNT1 O60563 3/20 0.36
GPR39 O43194 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNH2 Q12809 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
HTR7 P34969 1/20 0.32
NUDT1 P36639 1/20 0.32

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
SCHEMBL5799489 0.88 NOS1 (0.47) NOS1NOS3CCNT1GPR39ALDH1A1
SCHEMBL5800402 0.86 NOS1 (0.65) NOS1NOS3CCNT1GPR39
SCHEMBL5795698 0.84 NOS1 (0.44) NOS1NOS3CCNT1GPR39ALDH1A1
SCHEMBL8275671 0.83 NOS1 (0.45) NOS1NOS3ALDH1A1HPGDPDCD1
SCHEMBL5796485 0.83 NOS1 (0.42) NOS1NOS3CCNT1GPR39ALDH1A1
SCHEMBL8275594 0.81 NOS1 (0.53) NOS1NOS3ALDH1A1HPGDPDCD1
SCHEMBL5077795 0.80 NOS1 (0.71) NOS1NOS3ALDH1A1HPGDPDCD1
SCHEMBL7039704 0.77 NOS1 (0.38) NOS1NOS3CCNT1KCNH2CACNA1C
SCHEMBL8353981 0.76 NOS1 (0.46) NOS1NOS3CCNT1ALDH1A1HPGD
SCHEMBL8275750 0.73 NOS1 (0.67) NOS1NOS3ALDH1A1HPGDCD274

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
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-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PFIZER INC. 2005-02-10 US disclosed
US-6803470-B2 NITRIC OXIDE SYNTHASE INHIBITORS. PFIZER INC 2004-10-12 US disclosed
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 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
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 (3 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-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2251/4885NOS3 1089/4885CCNT1 4379/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885CCNT1 1911/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885CCNT1 4454/4885

“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.