SCHEMBL5799489

SCHEMBL5799489

CCc1cc(-c2cccc(NCC(C)(C)C)n2)c(OC)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.47
NOS3 P29474 3/20 0.47
SUV39H2 Q9H5I1 4/20 0.38
CCNT1 O60563 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GPR39 O43194 1/20 0.33
C5AR1 P21730 1/20 0.33

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
SCHEMBL5799995 0.88 NOS1 (0.47) NOS1NOS3CCNT1ALDH1A1HPGD
SCHEMBL5800402 0.87 NOS1 (0.65) NOS1NOS3CCNT1MEN1KMT2A
SCHEMBL8353981 0.87 NOS1 (0.46) NOS1NOS3SUV39H2CCNT1PDE4A
SCHEMBL5795698 0.85 NOS1 (0.44) NOS1NOS3SUV39H2CCNT1ALDH1A1
SCHEMBL8275649 0.84 NOS1 (0.47) NOS1NOS3MEN1POLBKMT2A
SCHEMBL5796485 0.84 NOS1 (0.42) NOS1NOS3CCNT1MEN1POLB
SCHEMBL7039704 0.78 NOS1 (0.38) NOS1NOS3CCNT1
SCHEMBL6710968 0.76 NOS1 (0.48) NOS1NOS3MEN1POLBKMT2A
SCHEMBL8275671 0.74 NOS1 (0.45) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6712176 0.74 NOS1 (0.45) NOS1NOS3MEN1POLBKMT2A

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 1089/4885SUV39H2 1886/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885SUV39H2 3432/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885SUV39H2 1769/4885

“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.