SCHEMBL6699604

SCHEMBL6699604

Nc1cccc(-c2ccc(C3CCN(Cc4ccns4)CC3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.41
NOS3 P29474 6/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
HTR1A P08908 2/20 0.36
HTR2A P28223 1/20 0.36
DGAT1 O75907 1/20 0.36
HSD11B1 P28845 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
LMNA P02545 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
SCHEMBL6698924 0.82 TLR8 (0.45) NOS1NOS3KDM4EMEN1POLB
SCHEMBL6697858 0.81 TRPV6 (0.48) NOS1NOS3MEN1KMT2ADRD2
SCHEMBL6699075 0.80 NOS1 (0.41) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6701348 0.79 TRPV6 (0.48) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6704117 0.79 TRPV6 (0.51) NOS1NOS3KDM4EKMT2ADRD2
SCHEMBL6701952 0.78 TRPV6 (0.51) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6701599 0.77 ALOX15 (0.46) NOS1NOS3KDM4EDRD2DRD4
SCHEMBL6699974 0.75 NOS1 (0.43) NOS1NOS3DRD2DRD4DRD3
SCHEMBL6695588 0.75 TRPV6 (0.53) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6700120 0.74 TRPV6 (0.42) NOS1NOS3DRD2DRD4DRD3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US 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 (4 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885KDM4E 1439/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885KDM4E 1439/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885KDM4E 939/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885KDM4E 1439/4885

“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.