SCHEMBL3058604

SCHEMBL3058604

Cc1cc2c(CN(C(=O)c3ccncc3C)c3ccc(F)c(C#N)c3)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.52
NOS1 P29475 7/20 0.52
NOS3 P29474 5/20 0.52
GPBAR1 Q8TDU6 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PDK1 Q15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 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
SCHEMBL3053563 0.87 NOS3 (0.46) NOS2NOS1NOS3KDM4EPDK1
SCHEMBL3064877 0.84 NOS2 (0.53) NOS2NOS1NOS3KDM4EPDK1
SCHEMBL3043358 0.83 NOS2 (0.56) NOS2NOS1NOS3GPBAR1NR1H4
SCHEMBL3058609 0.81 NOS1 (0.51) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3057645 0.81 NOS3 (0.47) NOS2NOS1NOS3GPBAR1NR1H4
SCHEMBL3064357 0.79 NOS2 (0.46) NOS2NOS1NOS3KDM4E
SCHEMBL3053787 0.77 NOS2 (0.48) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3061243 0.77 NOS2 (0.49) NOS2NOS1NOS3GPBAR1KDM4E
SCHEMBL3061893 0.72 GPBAR1 (0.49) NOS2NOS1NOS3GPBAR1NR1H4
SCHEMBL3058776 0.70 NOS2 (0.53) NOS2NOS1NOS3GPBAR1NR1H4

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 NOS2 3548/4885NOS1 3682/4885NOS3 3019/4885

“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.