SCHEMBL6700244

SCHEMBL6700244

CC1=NC(C)(c2cccc(-c3ccc(C4CCN(Cc5ccccc5)CC4)cc3)n2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.41
DRD4 P21917 10/20 0.41
DRD3 P35462 9/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CCR5 P51681 2/20 0.39
ENPP2 Q13822 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6703068 0.90 DRD2 (0.42) DRD2DRD4DRD3
SCHEMBL6702591 0.83 NOS1 (0.51) POLB
SCHEMBL6695604 0.80 GABRA1 (0.34) DRD2DRD4DRD3KMT2A
SCHEMBL6699793 0.80 P2RY14 (0.41)
SCHEMBL6699213 0.80 HTR2C (0.36) TLR9TLR8TLR7
SCHEMBL5834035 0.77 NOS3 (0.44) ENPP2
SCHEMBL6700239 0.75 DRD2 (0.47) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6700238 0.72 DRD2 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9070278 0.70 MEN1 (0.67) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL13490449 0.70 DRD2 (0.59) DRD2DRD4DRD3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 DRD2 661/4885DRD4 877/4885DRD3 932/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 DRD2 661/4885DRD4 877/4885DRD3 932/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 DRD2 661/4885DRD4 877/4885DRD3 932/4885

“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.