SCHEMBL3053563

SCHEMBL3053563

Cc1cc2c(CN(C(=O)c3ccncc3C)c3ccc(C#N)cc3)cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
PDK1 Q15118 8/20 0.42
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MAPKAPK2 P49137 5/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3064877 0.88 NOS2 (0.53) NOS3NOS1NOS2PDK1MEN1
SCHEMBL3058604 0.87 NOS2 (0.52) NOS3NOS1NOS2PDK1KDM4E
SCHEMBL3043358 0.84 NOS2 (0.56) NOS3NOS1NOS2PDK1MEN1
SCHEMBL3058609 0.81 NOS1 (0.51) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL3064357 0.79 NOS2 (0.46) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL3061243 0.79 NOS2 (0.49) NOS3NOS1NOS2PDK1MEN1
SCHEMBL3059431 0.79 MEN1 (0.59) PDK1PDK2PDK3PDK4MEN1
SCHEMBL3053787 0.77 NOS2 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL3060084 0.77 MEN1 (0.59) NOS3NOS1NOS2PDK1PDK2
SCHEMBL3052382 0.74 NOS3 (0.46) NOS3NOS1NOS2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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 (1 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 NOS3 3019/4885NOS1 3682/4885NOS2 3548/4885

“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.