SCHEMBL5796485

SCHEMBL5796485

CCc1cc(-c2cccc(NCC(C)(C)C)n2)c(OC)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.42
NOS3 P29474 4/20 0.42
CCNT1 O60563 2/20 0.35
GPR39 O43194 1/20 0.33
KCNH2 Q12809 2/20 0.32
CACNA1C Q13936 2/20 0.32
SCN5A Q14524 2/20 0.32
NUDT1 P36639 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
ERN1 O75460 1/20 0.31
IDH1 O75874 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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 0.84 NOS1 (0.47) NOS1NOS3CCNT1GPR39ALDH1A1
SCHEMBL6718265 0.84 NOS1 (0.39) NOS1NOS3KDM4EMEN1POLB
SCHEMBL8357551 0.83 NOS1 (0.41) NOS1NOS3ALDH1A1MEN1POLB
SCHEMBL5799995 0.83 NOS1 (0.47) NOS1NOS3CCNT1GPR39KCNH2
SCHEMBL5800402 0.82 NOS1 (0.65) NOS1NOS3CCNT1GPR39KDM4E
SCHEMBL5795698 0.80 NOS1 (0.44) NOS1NOS3CCNT1GPR39ALDH1A1
SCHEMBL7039704 0.77 NOS1 (0.38) NOS1NOS3CCNT1KCNH2CACNA1C
SCHEMBL8353981 0.72 NOS1 (0.46) NOS1NOS3CCNT1ALDH1A1KDM4E
SCHEMBL8275703 0.71 NOS1 (0.42) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6712176 0.71 NOS1 (0.45) NOS1NOS3ALDH1A1MEN1POLB

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.