SCHEMBL5775067

SCHEMBL5775067

CCc1cc(-c2cccc(-n3c(C)ccc3C)n2)c(OC)cc1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.45
NOS3 P29474 3/20 0.45
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APLNR P35414 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
HMGCR P04035 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
GAA P10253 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
SCHEMBL5778138 0.81 NOS1 (0.47) NOS1NOS3LMNAKDM4EMAPK1
SCHEMBL5776507 0.79 NOS1 (0.68) NOS1NOS3LMNAMAPTMEN1
SCHEMBL6588366 0.79 ESR1 (0.43) NOS1MAPTPOLBKDM4EMEN1
SCHEMBL8275696 0.78 NOS1 (0.67) NOS1NOS3MEN1KMT2A
SCHEMBL8474944 0.77 NOS1 (0.39) NOS1NOS3LMNAMAPTPOLB
SCHEMBL4286592 0.77 PTGER1 (0.41) LMNAKDM4EMAPK1
SCHEMBL6620007 0.76 ACHE (0.42) NOS1LMNAMAPTPOLBKDM4E
SCHEMBL8275704 0.76 ALDH1A1 (0.42) NOS1NOS3LMNAMAPTPOLB
SCHEMBL6713246 0.73 NOS1 (0.68) NOS1NOS3
SCHEMBL7077507 0.73 NOS3 (0.43) NOS1NOS3LMNAKDM4EMAPK1

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 11 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
CN-1568207-A 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER (US) 2005-01-19 CN 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-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
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 (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 1089/4885LMNA 910/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885LMNA 2813/4885
US-20050032847-A1 2-amino-6(2,4,5-substitued-phenyl)-pyridines PNMT, HTR6, HTR2C NOS1 2336/4885NOS3 1069/4885LMNA 1638/4885

“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.